Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.61 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8379811 | 0.86 | HSD11B1 (0.68) | HSD11B1HSD17B3GAAMAPTMEN1 | |
| SCHEMBL7536348 | 0.83 | HPGD (0.54) | GAAMAPTMEN1KMT2ACA12 | |
| SCHEMBL7189988 | 0.80 | KMT2A (0.49) | GAAMAPTMEN1KMT2AESR1 | |
| SCHEMBL6937775 | 0.80 | KMT2A (0.72) | HSD11B1HSD17B3GAAMAPTMEN1 | |
| SCHEMBL7190628 | 0.80 | MEN1 (0.67) | GAAMAPTMEN1KMT2ACA12 | |
| SCHEMBL8202374 | 0.78 | RXRA (0.59) | MAPTKMT2AALDH1A1TSHRHSD17B10 | |
| SCHEMBL9054334 | 0.76 | PTGS2 (0.51) | HSD11B1HSD17B3GAAMAPTCA12 | |
| SCHEMBL5366223 | 0.76 | HSD11B1 (0.55) | HSD11B1HSD17B3GAAMAPTMEN1 | |
| SCHEMBL11964254 | 0.76 | MEN1 (0.67) | MAPTMEN1KMT2AEGFRABL1 | |
| SCHEMBL9054847 | 0.76 | HTT (0.54) | GAAMAPTMEN1KMT2AESR1 |
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-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 | claimed |
| 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 | claimed |
| 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 |