Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL19856462 | 1.00 | CXCR4 (0.47) | CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR | |
| SCHEMBL28981263 | 1.00 | CXCR4 (0.47) | CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR | |
| SCHEMBL28661999 | 0.95 | CXCR4 (0.47) | CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR | |
| SCHEMBL28981266 | 0.92 | CXCR4 (0.42) | CXCR4SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL17344128 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| SCHEMBL9172235 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| Piperazine SCHEMBL7612531 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| SCHEMBL8200668 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| SCHEMBL18679 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| SCHEMBL8200112 | 0.92 | HIF1A (0.38) | CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6620840-B1 | Nitric oxide synthase inhibitors | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2003-09-16 | — | — | US | claimed |