Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10492451 | 0.79 | CYP17A1 (0.35) | ALDH1A1CYP19A1CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL10565313 | 0.76 | KDM4E (0.41) | ALDH1A1CYP19A1CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL8752907 | 0.75 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL907712 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP19A1KDM4E | |
| SCHEMBL10492516 | 0.71 | CYP19A1 (0.51) | ALDH1A1CYP19A1 | |
| SCHEMBL8562687 | 0.68 | SLC7A5 (0.38) | — | |
| SCHEMBL503134 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL7358241 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL13174628 | 0.64 | ALDH1A1 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL7197056 | 0.62 | MAPT (0.42) | ALDH1A1CYP19A1CYP2C9CYP2C19 |
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-4829074-A | INSECTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-09 | — | — | US | disclosed |
| EP-0194064-A2 | Azolyl substituted aralkyl compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-09-10 | — | — | EP | disclosed |