Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CCNK | O75909 | 5/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 5/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4098258 | 0.94 | CYP2C9 (0.43) | ROCK2ROCK1CYP2C9CYP2C19KCNH2 | |
| SCHEMBL10255276 | 0.90 | CCNK (0.35) | CYP2C9CYP2C19CCNKCDK12CDK2 | |
| SCHEMBL11948008 | 0.88 | LRRK2 (0.38) | CYP2C9CYP2C19CDK2CDK1LRRK2 | |
| SCHEMBL13561387 | 0.86 | CYP2C9 (0.46) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL4112035 | 0.86 | CYP2C9 (0.44) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL14692974 | 0.84 | CYP2C9 (0.41) | ROCK2ROCK1CYP2C9CYP2C19CDK2 | |
| SCHEMBL4111520 | 0.83 | CYP2C9 (0.47) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL10255242 | 0.82 | CYP2C9 (0.40) | CYP2C9CYP2C19CDK2KCNH2CDK1 | |
| SCHEMBL10255552 | 0.82 | CYP2C9 (0.40) | CYP2C9CYP2C19CDK2KCNH2CDK1 | |
| SCHEMBL11947999 | 0.80 | CDK2 (0.39) | CYP2C9CYP2C19CDK2KCNH2CDK1 |
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-2220091-B1 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2009079412-A2 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC. (US) | 2009-06-25 | — | — | WO | disclosed |