Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9120986 | 0.86 | CYP4F2 (0.47) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9214073 | 0.85 | CA12 (0.54) | PDE4BTSHRNPC1RAB9APOLB | |
| SCHEMBL8416607 | 0.84 | CTNNB1 (0.47) | ALDH1A1PDE4BTSHRMTNR1AMTNR1B | |
| SCHEMBL9213274 | 0.80 | PDE4B (0.49) | ALDH1A1HPGDHSD17B10PDE4BNPC1 | |
| SCHEMBL27383378 | 0.77 | AMY1A (0.46) | ALDH1A1HPGDTP53CYP1A2CYP3A4 | |
| SCHEMBL9120806 | 0.77 | CYP4F2 (0.49) | ALDH1A1HPGDMEN1KMT2AHTT | |
| SCHEMBL12658569 | 0.77 | HSD17B3 (0.52) | ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL10387695 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HPGDTP53CYP1A2CYP3A4 | |
| SCHEMBL3136286 | 0.76 | MEN1 (0.50) | HPGDCYP1A2CYP3A4CYP2C9ALOX15 | |
| SCHEMBL9128626 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HPGDTP53CYP1A2CYP3A4 |
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-0549621-B1 | NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS MEDICINAL DRUGS | SCHERING AG (DE) | 1995-09-27 | — | — | EP | disclosed |
| US-5352701-A | Leukotriene-B4 antagonist compounds and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-10-04 | — | — | US | disclosed |
| EP-0549621-A1 | NEW LEUKOTRIENE-B 4? ANTAGONISTS, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS MEDICINAL DRUGS. | SCHERING AG (DE) | 1993-07-07 | — | — | EP | disclosed |
| WO-1992004311-A1 | NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS MEDICINAL DRUGS | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1992-03-19 | — | — | WO | disclosed |