Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL163545 | 0.86 | CYP2C9 (0.63) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL19537442 | 0.82 | KDM5A (0.51) | ALDH1A1KDM5A | |
| SCHEMBL255707 | 0.79 | GAA (0.48) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL2221328 | 0.78 | GAA (0.44) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL13449431 | 0.77 | CYP2C9 (0.58) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL370989 | 0.76 | KMT2A (0.40) | CYP2C9ALDH1A1GAAKMT2APOLB | |
| SCHEMBL13275030 | 0.76 | KMT2A (0.38) | CYP2C9ALDH1A1GAAKMT2APOLB | |
| SCHEMBL360971 | 0.76 | TBXAS1 (0.41) | UBE2NMAPT | |
| SCHEMBL2221483 | 0.75 | POLB (0.49) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL2264322 | 0.75 | POLB (0.64) | CYP2C9ALDH1A1CYP1A2CYP3A4GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |