Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 6/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045275 | 0.82 | CA1 (0.49) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL20313909 | 0.80 | CA1 (0.48) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL12069015 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL12070120 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL12071191 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL10100466 | 0.79 | SYK (0.60) | CTSKCTSSMAPT | |
| SCHEMBL21729511 | 0.79 | CA1 (0.56) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL14098271 | 0.79 | CA1 (0.71) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL38665117 | 0.79 | CA1 (0.71) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL26405353 | 0.79 | CA1 (0.56) | CYP1A2CYP2C9CYP2C19HTTCA1 |
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-6759509-B1 | CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-06 | — | — | US | disclosed |