Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23289 | 0.81 | F2 (0.48) | KMT2APKMMAPTALDH1A1POLB | |
| SCHEMBL25248 | 0.78 | NPC1 (0.43) | KMT2APKMMAPTPOLBMAPK1 | |
| SCHEMBL10529751 | 0.77 | HTR2A (0.53) | TDP1 | |
| SCHEMBL8585925 | 0.77 | KMT2A (0.52) | KMT2AMAPTALDH1A1MEN1 | |
| SCHEMBL5973956 | 0.76 | ALOX5 (0.73) | KMT2APKMMAPTALDH1A1POLB | |
| SCHEMBL4834040 | 0.75 | HSPB1 (0.50) | KMT2AMAPTALDH1A1MAPK1CES1 | |
| SCHEMBL16335594 | 0.75 | PKM (0.68) | KMT2APKMMAPTALDH1A1POLB | |
| SCHEMBL10636579 | 0.74 | KMT2A (0.84) | KMT2APKMMAPTALDH1A1CES1 | |
| SCHEMBL4951809 | 0.74 | KMT2A (0.84) | KMT2APKMMAPTALDH1A1CES1 | |
| SCHEMBL542043 | 0.74 | KMT2A (0.84) | KMT2APKMMAPTALDH1A1CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997002249-A1 | NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-01-23 | — | — | WO | claimed |
| US-6136969-A | PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER | HOFFMANN-LA ROCHE INC. (US) | 2000-10-24 | — | — | US | disclosed |
| US-5907038-A | PROTEIN KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1999-05-25 | — | — | US | disclosed |
| EP-0836592-A1 | AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002249-A1 | NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-01-23 | — | — | WO | disclosed |