Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124416 | 1.00 | KMT2A (0.53) | KMT2ARAB9ACYP1A2NPC1KDM4E | |
| SCHEMBL1124164 | 0.85 | KMT2A (0.56) | KMT2ARAB9ACYP1A2NPC1KDM4E | |
| SCHEMBL1124166 | 0.85 | KMT2A (0.56) | KMT2ARAB9ACYP1A2NPC1KDM4E | |
| SCHEMBL15435161 | 0.78 | KMT2A (0.46) | KMT2ARAB9ACYP1A2NPC1KDM4E | |
| Trifluoroacetic Acid SCHEMBL1970997 | 0.77 | KDM4E (0.41) | KMT2ARAB9AKDM4ELMNAHTT | |
| SCHEMBL16031471 | 0.77 | ALDH1A1 (0.44) | CYP1A2KDM4ELMNACYP2C9HPGD | |
| SCHEMBL16031469 | 0.77 | ALDH1A1 (0.44) | CYP1A2KDM4ELMNACYP2C9HPGD | |
| Trifluoroacetic Acid SCHEMBL1970993 | 0.77 | KDM4E (0.41) | KMT2ARAB9AKDM4ELMNAHTT | |
| SCHEMBL15397509 | 0.77 | KDM4E (0.46) | KMT2ARAB9AKDM4ELMNAHTT | |
| SCHEMBL15397508 | 0.77 | KDM4E (0.46) | KMT2ARAB9AKDM4ELMNAHTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10669268-B2 | Bicyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-05-03 | — | — | US | disclosed |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-23 | — | — | US | disclosed |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-10 | — | — | US | disclosed |
| US-20110281869-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | AISSAOUI HAMED (FR) | 2011-11-17 | — | — | US | disclosed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | 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 (5 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-10669268-B2 | Bicyclic derivatives | CCNY, BICRA, UQCRB | KMT2A 504/4885RAB9A 753/4885CYP1A2 22/4885 |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | KMT2A 586/4885RAB9A 710/4885CYP1A2 25/4885 |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | KMT2A 586/4885RAB9A 710/4885CYP1A2 25/4885 |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | KMT2A 586/4885RAB9A 710/4885CYP1A2 25/4885 |
| US-20110281869-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | QTRT2, RECQL, QTRT1 | KMT2A 865/4885RAB9A 856/4885CYP1A2 131/4885 |
“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.