Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ICMT | O60725 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3507152 | 1.00 | CYP3A4 (0.57) | CYP3A4CYP2E1CYP2A6FGFR1PIK3CA | |
| SCHEMBL11929770 | 0.87 | CYP3A4 (0.67) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 | |
| SCHEMBL17166601 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 | |
| SCHEMBL8695867 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 | |
| SCHEMBL14498657 | 0.79 | FGFR1 (0.47) | CYP3A4FGFR1ALDH1A1OPRD1OPRM1 | |
| SCHEMBL62408 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 | |
| SCHEMBL16923147 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2E1CYP2A6PIK3CAMTOR | |
| SCHEMBL22290749 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 | |
| SCHEMBL27399890 | 0.79 | FGFR1 (0.47) | CYP3A4FGFR1ALDH1A1OPRD1OPRM1 | |
| SCHEMBL11983591 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2E1CYP2A6ALDH1A1GRM5 |
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-111344284-B | Compounds useful as inhibitors of isoprene cysteine carboxymethyltransferase | 新加坡科技研究局 | 2024-03-12 | — | — | CN | disclosed |