Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL8030047 | 0.87 | KMT2A (0.46) | KMT2ACYP2A6TRPA1ALB | |
| SCHEMBL6636265 | 0.82 | BRPF1 (0.40) | KMT2AKCNJ1KCNH2CYP2A6 | |
| SCHEMBL6637649 | 0.77 | KCNJ1 (0.53) | KMT2AKCNJ1KCNH2 | |
| SCHEMBL30005781 | 0.74 | KMT2A (0.46) | KMT2A | |
| SCHEMBL7072559 | 0.73 | KMT2A (0.47) | KMT2A | |
| SCHEMBL28274303 | 0.73 | KMT2A (0.67) | KMT2ATRPA1ALB | |
| SCHEMBL663 | 0.72 | POLB (0.47) | KMT2A | |
| SCHEMBL7295324 | 0.72 | DAO (0.47) | KMT2A | |
| SCHEMBL27527678 | 0.72 | HRH3 (0.53) | KMT2AKCNJ1KCNH2CYP2A6 | |
| SCHEMBL4672103 | 0.70 | OXER1 (0.52) | KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100795-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-06-09 | — | — | EP | disclosed |
| EP-1100795-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) | 2001-05-23 | — | — | EP | disclosed |
| US-6121308-A | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM KG (DE) | 2000-09-19 | — | — | US | disclosed |
| WO-2000008014-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-02-17 | — | — | WO | disclosed |