Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 7/20 | 0.56 |
| ▸ | RXRB | P28702 | 6/20 | 0.56 |
| ▸ | RXRG | P48443 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8202381 | 0.89 | MAPT (0.51) | RXRAHPGDTRPM8PARP1SGMS2 | |
| SCHEMBL8201740 | 0.87 | RXRA (0.56) | RXRARXRBRXRGHPGDNR4A1 | |
| SCHEMBL27498800 | 0.84 | RXRA (0.58) | RXRARXRBRXRGHPGDPTGER1 | |
| SCHEMBL5319192 | 0.82 | RAB9A (0.51) | RXRANPC1ALDH1A1MAPTHTT | |
| SCHEMBL12726937 | 0.81 | TRPM8 (0.58) | PTGER1TRPM8PARP1SGMS2NPC1 | |
| SCHEMBL9876933 | 0.79 | TRPM8 (0.57) | PTGER1TRPM8SGMS2NPC1MAPT | |
| SCHEMBL10102482 | 0.78 | RXRA (0.68) | RXRARXRBRXRGHPGDNR4A1 | |
| SCHEMBL5233877 | 0.78 | RXRA (0.50) | RXRARXRBRXRG | |
| SCHEMBL2290346 | 0.77 | TRPM8 (0.55) | PTGER1TRPM8SGMS2NPC1HTT | |
| SCHEMBL7774921 | 0.77 | RXRA (0.58) | RXRARXRBRXRGHPGDNR4A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1199396-A | Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases | HOFFMANN LA ROCHE (CH) | 1998-11-18 | — | — | CN | 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 |