Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20270454 | 0.78 | LIG1 (0.47) | CYP2C19LMNA | |
| SCHEMBL14544785 | 0.77 | LIG1 (0.32) | CYP2C19 | |
| SCHEMBL238821 | 0.77 | LIG1 (0.46) | CYP2C19LMNACYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20503288 | 0.76 | KDM1A (0.41) | CYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10696085 | 0.68 | MAPT (0.45) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8731301 | 0.66 | CES2 (0.30) | — | |
| SCHEMBL20270339 | 0.65 | PDE2A (0.37) | — | |
| SCHEMBL10692439 | 0.63 | NR1H2 (0.31) | — | |
| SCHEMBL10873431 | 0.62 | ESR2 (0.45) | CYP2C9CYP3A4 | |
| SCHEMBL10746143 | 0.62 | CYP2C19 (0.49) | CYP2C19LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0253501-A2 | N-disubstituted cycloalkylmethyl amines useful as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-20 | — | — | EP | disclosed |