Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10256560 | 0.92 | CYP2C9 (0.44) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4105715 | 0.90 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4110903 | 0.83 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL13561269 | 0.82 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL13798618 | 0.81 | CDK2 (0.45) | CYP2C9CYP2C19KDM4EHPGDKMT2A | |
| SCHEMBL10255552 | 0.80 | CYP2C9 (0.40) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL10255242 | 0.80 | CYP2C9 (0.40) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL11936696 | 0.79 | KMT2A (0.50) | CYP2C9CYP2C19KDM4EMEN1HPGD | |
| SCHEMBL11947999 | 0.78 | CDK2 (0.39) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 | |
| SCHEMBL13561268 | 0.78 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP3A4CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220091-B1 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC (US) | 2012-07-25 | — | — | EP | disclosed |