Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.39 |
| ▸ | YWHAG | P61981 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703370 | 0.87 | AKR1B1 (0.58) | AKR1B1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11689706 | 0.79 | AKR1B1 (0.66) | AKR1B1KDM4EGAAALDH1A1MAPT | |
| SCHEMBL9765541 | 0.79 | AKR1B1 (0.60) | AKR1B1CYP1A2CYP2D6CYP2C19GAA | |
| SCHEMBL27310539 | 0.78 | NPC1 (0.51) | KDM4ECYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL17323596 | 0.76 | KDM4E (0.49) | KDM4ECYP1A2CYP2C19CDYLGAA | |
| SCHEMBL9765531 | 0.76 | AKR1B1 (0.57) | AKR1B1CYP1A2CYP2D6CYP2C19GAA | |
| SCHEMBL11704584 | 0.76 | AKR1B1 (0.65) | AKR1B1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11694132 | 0.76 | AKR1B1 (0.69) | AKR1B1KDM4ECYP1A2CYP2C19GAA | |
| SCHEMBL9765522 | 0.76 | AKR1B1 (0.64) | AKR1B1CYP1A2GAAHIF1AALDH1A1 | |
| SCHEMBL11690948 | 0.75 | AKR1B1 (0.73) | AKR1B1CYP1A2CYP2D6CYP2C19CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4038299-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC | SYNTEX (U.S.A.) INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-3966820-A | ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETICS | SYNTEX (U.S.A.) INC. (US) | 1976-06-29 | — | — | US | disclosed |