Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 2/20 | 0.52 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8593062 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL11864991 | 0.89 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2917847 | 0.87 | CCNA2 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL11863222 | 0.86 | SCN1A (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2916920 | 0.85 | CCNA2 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL11867802 | 0.85 | MAPT (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2915406 | 0.85 | CCNA2 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9170065 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9173375 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9174527 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E |
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-0422051-A1 | CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-04-17 | — | — | EP | disclosed |
| WO-1989012630-A1 | CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-12-28 | — | — | WO | disclosed |
| EP-0347773-A1 | Condensed Pyrazole 3-oxo-propanenitrile derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1989-12-27 | — | — | EP | disclosed |
| US-3940418-A | Esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and related compounds | G. D. SEARLE & CO. (US) | 1976-02-24 | — | — | US | disclosed |