Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 11/20 | 0.51 |
| ▸ | CA12 | O43570 | 10/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.51 |
| ▸ | CA7 | P43166 | 5/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | CA3 | P07451 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA6 | P23280 | 2/20 | 0.51 |
| ▸ | CA5A | P35218 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3369222 | 0.77 | ALDH1A1 (0.55) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| SCHEMBL3810173 | 0.74 | DYRK1A (0.36) | CYP2A6CA12ALDH1A1KDM4EHSD17B10 | |
| Scoparone SCHEMBL240777 | 0.73 | MCL1 (1.00) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| Scoparone SCHEMBL29714063 | 0.73 | MCL1 (1.00) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| SCHEMBL20563740 | 0.72 | — | — | |
| SCHEMBL1108372 | 0.70 | CYP2A6 (1.00) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| Scoparone SCHEMBL27678756 | 0.70 | MCL1 (0.93) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| SCHEMBL16295095 | 0.68 | — | — | |
| Herniarin SCHEMBL17629468 | 0.68 | CA12 (1.00) | MCL1CYP2A6CA9CA12ALDH1A1 | |
| Herniarin SCHEMBL61221 | 0.68 | CA12 (1.00) | MCL1CYP2A6CA9CA12ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485984-B1 | Diarylmethoxypiperidine derivatives | UBE INDUSTRIES (JP) | 1996-04-24 | — | — | EP | claimed |
| US-5225559-A | DIARYLMETHOXYPIPERIDINE DERIVATIVES | UBE INDUSTRIES, LTD. (JP) | 1993-07-06 | — | — | US | claimed |
| EP-0485984-A2 | Diarylmethoxypiperidine derivatives | UBE INDUSTRIES, LTD. (JP) | 1992-05-20 | — | — | EP | claimed |
| EP-0485984-B1 | Diarylmethoxypiperidine derivatives | UBE INDUSTRIES (JP) | 1996-04-24 | — | — | EP | disclosed |
| US-5225559-A | DIARYLMETHOXYPIPERIDINE DERIVATIVES | UBE INDUSTRIES, LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0485984-A2 | Diarylmethoxypiperidine derivatives | UBE INDUSTRIES, LTD. (JP) | 1992-05-20 | — | — | EP | disclosed |