Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058575 | 0.86 | CYP19A1 (0.39) | CYP19A1F2F10IDO1TDO2 | |
| SCHEMBL8801294 | 0.83 | DHODH (0.43) | CYP19A1ALDH1A1 | |
| SCHEMBL8802032 | 0.76 | NPSR1 (0.42) | ALDH1A1 | |
| SCHEMBL9415867 | 0.73 | DHODH (0.44) | CYP19A1ALDH1A1 | |
| SCHEMBL9415889 | 0.66 | DHODH (0.43) | ALDH1A1 | |
| SCHEMBL13201552 | 0.64 | CYP19A1 (0.80) | CYP19A1IDO1TDO2 | |
| SCHEMBL29820189 | 0.63 | CYP19A1 (0.67) | CYP19A1IDO1TDO2ALDH1A1 | |
| SCHEMBL949807 | 0.62 | CYP19A1 (0.61) | CYP19A1ALDH1A1 | |
| SCHEMBL4564456 | 0.61 | CYP19A1 (0.69) | CYP19A1IDO1TDO2ALDH1A1 | |
| SCHEMBL8801565 | 0.61 | PIM1 (0.47) | CYP19A1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996002533-A1 | NOVEL 6- AND 6,8-SUBSTITUTED 1-[4-(1H-1,2,4-TRIAZOL-1-YL METHYL) PHENYL] QUINOLONE CARBOXYLIC ACIDS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-01 | — | — | WO | disclosed |