Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 14/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638901 | 0.89 | HDAC2 (0.43) | HDAC2HDAC3HDAC1KCNH2CYP1A2 | |
| SCHEMBL2637841 | 0.89 | HDAC2 (0.43) | HDAC2HDAC3HDAC1KCNH2CYP1A2 | |
| SCHEMBL2637925 | 0.88 | KCNH2 (0.48) | HDAC2HDAC3HDAC1KCNH2 | |
| SCHEMBL3133124 | 0.86 | HDAC1 (0.43) | HDAC2HDAC3HDAC1ABL1BCR | |
| SCHEMBL2637850 | 0.85 | HDAC1 (0.47) | HDAC2HDAC3HDAC1ABL1BCR | |
| SCHEMBL2638200 | 0.83 | HDAC1 (0.39) | HDAC2HDAC3HDAC1ABL1 | |
| SCHEMBL272439 | 0.82 | CDK2 (0.53) | HDAC2HDAC3KCNH2GSK3B | |
| SCHEMBL2638247 | 0.79 | HDAC1 (0.47) | HDAC2HDAC3HDAC1ABL1BCR | |
| SCHEMBL2638357 | 0.77 | KCNH2 (0.44) | HDAC2HDAC3HDAC1KCNH2 | |
| SCHEMBL2638417 | 0.77 | TP53 (0.44) | HDAC2HDAC3HDAC1ABL1BCR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011528039-A | — | — | 2011-11-10 | — | — | JP | claimed |
| WO-2010009139-A2 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | claimed |
| WO-2010009139-A2 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | disclosed |