Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2902174 | 0.95 | CYP2C9 (0.50) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2902725 | 0.84 | CYP2C9 (0.50) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL3750731 | 0.83 | MERTK (0.45) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL16984552 | 0.79 | CYP2C9 (0.41) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL719955 | 0.75 | CYP2C9 (0.53) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL16984553 | 0.75 | CYP2C9 (0.41) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2902504 | 0.75 | MERTK (0.56) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2896915 | 0.75 | MERTK (0.47) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL14940254 | 0.73 | CYP2C9 (0.62) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL16984537 | 0.72 | CYP2C9 (0.39) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 |
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-2213650-A1 | SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF | Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) | 2010-08-04 | — | — | EP | disclosed |