Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17086150 | 0.98 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL5755457 | 0.96 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL3637068 | 0.85 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL3471627 | 0.85 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL16226508 | 0.84 | OPRM1 (0.53) | CYP2D6MAPK1KCNH2HRH1SLC6A4 | |
| SCHEMBL15017817 | 0.83 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL468998 | 0.83 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL1303683 | 0.83 | DPP4 (0.53) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL4731651 | 0.83 | TP53 (0.47) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL10601133 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401821-A4 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORP (KR) | 2006-05-31 | — | — | EP | claimed |
| EP-1401821-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK Corporation (KR) | 2004-03-31 | — | — | EP | claimed |
| WO-2002100848-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORPORATION (KR) | 2002-12-19 | — | — | WO | claimed |
| EP-1401821-A4 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORP (KR) | 2006-05-31 | — | — | EP | disclosed |
| EP-1401821-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK Corporation (KR) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002100848-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORPORATION (KR) | 2002-12-19 | — | — | WO | disclosed |