Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9735004 | 0.70 | CA5A (0.44) | CA5AALDH1A1TP53 | |
| SCHEMBL9733462 | 0.68 | GAA (0.48) | ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL29718627 | 0.65 | CES2 (0.46) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL20970373 | 0.64 | IRAK4 (0.43) | CES2CES1MAPTALDH1A1PARP1 | |
| SCHEMBL13572952 | 0.64 | KDM4E (0.45) | MAPTALDH1A1MEN1CYP2D6KMT2A | |
| SCHEMBL10959131 | 0.64 | CA5A (0.52) | CA5ACES2CES1ALDH1A1NPSR1 | |
| SCHEMBL9714322 | 0.61 | ADA (0.48) | CA5ACES2CES1 | |
| SCHEMBL9714477 | 0.61 | ALDH1A1 (0.49) | CES2CES1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21066343 | 0.60 | GAA (0.35) | ALDH1A1TP53 | |
| SCHEMBL10403668 | 0.60 | DAPK3 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | claimed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | claimed |
| EP-0267147-B1 | ARALKYL-4H-1,2,4-TRIAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-07 | — | — | EP | claimed |
| EP-0267147-A1 | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY AG (CH) | 1988-05-11 | — | — | EP | claimed |
| US-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |
| EP-0267147-B1 | ARALKYL-4H-1,2,4-TRIAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-07 | — | — | EP | disclosed |
| EP-0267147-A1 | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY AG (CH) | 1988-05-11 | — | — | EP | disclosed |