Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352723 | 0.98 | TP53 (0.38) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL28870861 | 0.98 | TP53 (0.38) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL14779809 | 0.94 | ALDH1A1 (0.37) | TP53ALDH1A1CA1CA2 | |
| SCHEMBL6307966 | 0.91 | TP53 (0.42) | TP53ALDH1A1CA1CA2CA9 | |
| SCHEMBL13499764 | 0.89 | TP53 (0.41) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL3488909 | 0.89 | TP53 (0.41) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL15211949 | 0.89 | TP53 (0.41) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL3080295 | 0.89 | TP53 (0.41) | TP53CA1CA2CA9SMPD1 | |
| SCHEMBL13258344 | 0.88 | TP53 (0.39) | TP53ALDH1A1CA1CA2CA9 | |
| SCHEMBL3858248 | 0.86 | TP53 (0.38) | TP53CA1CA2CA9SMPD1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118290403-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-07-05 | — | — | CN | disclosed |
| WO-2023241627-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2023-12-21 | — | — | WO | disclosed |
| EP-3877381-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | Lynk Pharmaceuticals Co. Ltd. (CN) | 2021-09-15 | — | — | EP | disclosed |
| WO-2020119819-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |
| EP-1102751-A4 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | UNIV GEORGETOWN (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-0683781-B1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | METABASIS THERAPEUTICS INC (US) | 2004-04-21 | — | — | EP | disclosed |
| EP-1102751-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | Georgetown University (US) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000007994-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | GEORGETOWN UNIVERSITY (US) | 2000-02-17 | — | — | WO | disclosed |
| US-5731432-A | Inhibitors of adenosine monophosphate deaminase | GENSIA SICOR INC. (US) | 1998-03-24 | — | — | US | disclosed |
| EP-0683781-A4 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. | GENSIA PHARMA (US) | 1997-05-28 | — | — | EP | disclosed |
| EP-0683781-A1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | GENSIA PHARMACEUTICALS, INC. (US) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994018200-A1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | GENSIA, INC. (US) | 1994-08-18 | — | — | WO | disclosed |
| US-4920221-A | CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | PFIZER INC. (US) | 1990-04-24 | — | — | US | disclosed |
| US-4642373-A | Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents | PFIZER INC. (US) | 1987-02-10 | — | — | US | disclosed |
| US-4476131-A | ANTIEMETICS, ANALGESICS | PFIZER INC. (US) | 1984-10-09 | — | — | US | disclosed |
| US-4473704-A | ANALGESICS, ANTIEMETICS | PFIZER INC. (US) | 1984-09-25 | — | — | US | disclosed |