Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2642000 | 0.84 | CYP2C9 (0.53) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL6880667 | 0.82 | CA12 (0.55) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL8884857 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL12461092 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL5364037 | 0.81 | LMNA (0.56) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL19779421 | 0.81 | CA12 (0.53) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL829286 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL18198247 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL1749962 | 0.80 | CA12 (0.53) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL18198246 | 0.79 | CYP2C9 (0.49) | CYP2C9CYP2C19CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009036016-A1 | CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |