Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CALM1 | P0DP23 | 4/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 3/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491787 | 0.79 | CYP19A1 (0.68) | CYP19A1CALM1AKR1B1FGFR1KDR | |
| SCHEMBL28891744 | 0.74 | CALM1 (0.75) | CYP19A1CALM1AKR1B1TUBB4ATUBB | |
| SCHEMBL1972535 | 0.72 | CYP19A1 (0.66) | CYP19A1CALM1AKR1B1GABRA1GABRG2 | |
| SCHEMBL28189567 | 0.72 | LTA4H (0.57) | ALDH1A1 | |
| SCHEMBL28861830 | 0.71 | DAO (0.50) | CYP19A1CALM1AKR1B1FGFR1KDR | |
| SCHEMBL28231681 | 0.71 | FGFR1 (0.50) | CYP19A1CALM1AKR1B1FGFR1KDR | |
| SCHEMBL1975466 | 0.71 | TAAR1 (0.69) | CYP19A1AKR1B1GABRA1GABRG2GABRB3 | |
| SCHEMBL1516367 | 0.69 | CAPN1 (0.43) | CYP19A1DAOALDH1A1CAPN1 | |
| SCHEMBL10384348 | 0.69 | CYP19A1 (1.00) | CYP19A1CALM1AKR1B1ALDH1A1PTPN1 | |
| SCHEMBL4735081 | 0.69 | CALM1 (0.73) | CYP19A1CALM1AKR1B1GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008348-B | Pyrazolylbenzo [ D ] imidazole derivatives | 赛隆制药股份公司 | 2018-07-10 | — | — | CN | disclosed |