Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL910508 | 0.71 | MAPT (0.47) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL351832 | 0.70 | GPR3 (0.33) | NOTUM | |
| SCHEMBL29198016 | 0.68 | GPR3 (0.33) | NOTUM | |
| SCHEMBL30330229 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL9230962 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL10431416 | 0.68 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23493163 | 0.67 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28991071 | 0.67 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4577560 | 0.66 | ATM (0.36) | — | |
| SCHEMBL11201325 | 0.66 | — | — |
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-117777153-A | 20 (S) -10, 11-difluoro methylenedioxy camptothecine derivative and preparation method and application thereof | 浙江工业大学 | 2024-03-29 | — | — | CN | disclosed |