Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.64 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11827878 | 1.00 | AKR1B1 (0.64) | AKR1B1PTPN11MAPK14ALDH1A1TSHR | |
| SCHEMBL11570176 | 1.00 | AKR1B1 (0.64) | AKR1B1PTPN11MAPK14ALDH1A1TSHR | |
| SCHEMBL11824625 | 1.00 | AKR1B1 (0.64) | AKR1B1PTPN11MAPK14ALDH1A1TSHR | |
| SCHEMBL11820581 | 0.93 | AKR1B1 (0.68) | AKR1B1MAPK14ALDH1A1LMNAKDM4E | |
| SCHEMBL11826995 | 0.88 | AKR1B1 (0.71) | AKR1B1MAPK14ALDH1A1LMNAKDM4E | |
| SCHEMBL11839180 | 0.87 | AKR1B1 (0.55) | AKR1B1MAPK14LMNAELANEEPHX2 | |
| SCHEMBL11842537 | 0.87 | AKR1B1 (0.55) | AKR1B1MAPK14LMNAELANEEPHX2 | |
| SCHEMBL11846250 | 0.87 | AKR1B1 (0.55) | AKR1B1MAPK14LMNAELANEEPHX2 | |
| SCHEMBL11853431 | 0.86 | AKR1B1 (0.56) | AKR1B1MAPK14ELANEEPHX2 | |
| SCHEMBL11824920 | 0.86 | AKR1B1 (0.64) | AKR1B1MAPK14LMNAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005055-A2 | 6,11-Dihydrodibenzo-thiepin-11-ones and their S-oxides, methods for their preparation and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1979-10-31 | — | — | EP | disclosed |
| US-4000288-A | ANALGESICS, ANTIINFLAMMATORY AGENTS, PYREXIA | SYNTEX (U.S.A.) INC. (US) | 1976-12-28 | — | — | US | disclosed |
| US-4000308-A | ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA | SYNTEX (U.S.A.) INC. (US) | 1976-12-28 | — | — | US | disclosed |