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 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8194066 | 0.89 | MAPT (0.54) | RXRAHPGDNPC1ALDH1A1MAPT | |
| SCHEMBL8202819 | 0.87 | RXRA (0.56) | RXRARXRBRXRGHPGDNR4A1 | |
| SCHEMBL8202381 | 0.77 | MAPT (0.51) | RXRAHPGDNPC1ALDH1A1MAPT | |
| SCHEMBL19052102 | 0.76 | NPC1 (0.48) | HPGDNPC1ALDH1A1MAPTHTT | |
| SCHEMBL8204822 | 0.75 | FOLH1 (0.69) | RXRARXRBRXRGHPGDFOLH1 | |
| SCHEMBL5582815 | 0.75 | ALDH1A1 (0.60) | RXRARXRBRXRGHPGDNR4A1 | |
| SCHEMBL8206693 | 0.74 | PPIA (0.61) | RXRARXRBRXRGHPGDNR4A1 | |
| SCHEMBL27498800 | 0.73 | RXRA (0.58) | RXRARXRBRXRGHPGDALDH1A1 | |
| SCHEMBL8203031 | 0.73 | CA12 (0.47) | HPGDNPC1MAPTHTTRAB9A | |
| SCHEMBL629639 | 0.73 | MAOB (0.56) | FOLH1MAPTSMN1; SMN2L3MBTL1PTGER1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |