Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.46 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA9 | Q16790 | 10/20 | 0.45 |
| ▸ | CA12 | O43570 | 10/20 | 0.45 |
| ▸ | CA6 | P23280 | 5/20 | 0.45 |
| ▸ | CA5A | P35218 | 5/20 | 0.45 |
| ▸ | CA7 | P43166 | 5/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1448262 | 0.81 | SMN1; SMN2 (0.37) | LMNA | |
| SCHEMBL4358128 | 0.79 | ALDH1A1 (0.39) | CA2CA1CA12CA7CA14 | |
| SCHEMBL16880499 | 0.78 | PSIP1 (0.43) | MAPTMEN1GAAPKMRAB9A | |
| SCHEMBL1459844 | 0.76 | ALDH1A1 (0.41) | MAPTLMNAKDM4EMEN1PKM | |
| SCHEMBL28569719 | 0.76 | ALDH1A1 (0.35) | CA2KMT2A | |
| SCHEMBL2895869 | 0.75 | CA2 (0.47) | CA2CA1CA9CA12CA6 | |
| SCHEMBL1828201 | 0.75 | CA1 (0.47) | CA2CA1CA9CA12CA6 | |
| SCHEMBL7472177 | 0.75 | ALDH1A1 (0.46) | LMNAMEN1KMT2APOLB | |
| SCHEMBL6644105 | 0.75 | CA1 (0.50) | CA2CA1LMNAKMT2A | |
| SCHEMBL15654298 | 0.75 | NPC1 (0.40) | MAPTLMNARAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005115147-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-08 | — | — | WO | claimed |
| EP-3071578-B1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2018-01-10 | — | — | EP | disclosed |
| US-9814700-B2 | Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents | NIVALIS THERAPEUTICS, INC. (US) | 2017-11-14 | — | — | US | disclosed |
| US-9765092-B2 | Tricyclic piperidine compounds | ACTELION PHARMACEUTICALS LTD (CH) | 2017-09-19 | — | — | US | disclosed |
| US-20170049750-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | LAUREL THERAPEUTICS LTD. (CN) | 2017-02-23 | — | — | US | disclosed |
| US-9498466-B2 | Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents | NIVALIS THERAPEUTICS, INC. (US) | 2016-11-22 | — | — | US | disclosed |
| EP-2318006-B1 | NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS | NIVALIS THERAPEUTICS INC (US) | 2016-10-12 | — | — | EP | disclosed |
| EP-3071578-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | Actelion Pharmaceuticals Ltd (CH) | 2016-09-28 | — | — | EP | disclosed |
| US-20160272655-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-09-22 | — | — | US | disclosed |
| EP-3069721-A1 | NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS | Nivalis Therapeutics, Inc. (US) | 2016-09-21 | — | — | EP | disclosed |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2013-05-02 | — | — | US | disclosed |
| US-8399448-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2013-03-19 | — | — | US | disclosed |
| US-20110144110-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | N30 PHARMACEUTICALS, LLC (US) | 2011-06-16 | — | — | US | disclosed |
| US-20110144180-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | N30 PHARMACEUTICALS, LLC (US) | 2011-06-16 | — | — | US | disclosed |
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | MERCK SERONO SA (CH) | 2010-08-19 | — | — | US | disclosed |
| CN-101790519-A | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (s1p) receptor for the treatment of multiple sclerosis | SERONO LAB | 2010-07-28 | — | — | CN | disclosed |
| EP-2183224-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | Merck Serono S.A. (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009019167-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2009-02-12 | — | — | WO | disclosed |
| WO-2006037468-A1 | HIV REVERSE TRANSCRIPTASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-04-13 | — | — | WO | disclosed |
| WO-2005115147-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-08 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | S1PR1, S1PR5, S1PR3 | CA2 3786/4885CA1 4684/4885CA9 4732/4885 |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | S1PR1, S1PR5, S1PR3 | CA2 3771/4885CA1 4626/4885CA9 4724/4885 |
| US-20170049750-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | GSR, DHFR, GRHPR | CA2 4299/4885CA1 4697/4885CA9 4552/4885 |
| US-20160272655-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | TPH1, HTR1B, HTR1A | CA2 3885/4885CA1 4247/4885CA9 4700/4885 |
| US-20110144180-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | GSR, DHFR, GRHPR | CA2 4299/4885CA1 4697/4885CA9 4552/4885 |
| US-20110144110-A1 | Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents | GSR, DHFR, GRHPR | CA2 4299/4885CA1 4697/4885CA9 4552/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.