Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5754933 | 0.98 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL5758457 | 0.96 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL7607116 | 0.84 | IDO1 (0.71) | CYP2D6IDO1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL5758790 | 0.83 | DPP4 (0.48) | CYP3A4CYP2D6CYP2C19IDO1SLC6A2 | |
| SCHEMBL18375354 | 0.82 | OPRK1 (0.49) | CYP2C19SLC6A2OPRM1OPRD1OPRK1 | |
| SCHEMBL20369820 | 0.82 | OPRK1 (0.49) | CYP2C19SLC6A2OPRM1OPRD1OPRK1 | |
| SCHEMBL21055084 | 0.81 | IDO1 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12847327 | 0.81 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL4758350 | 0.81 | IDO1 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL5760504 | 0.81 | KDM4E (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015095337-A2 | PYRAZOLO[1,5-a]PYRIMIDINECARBOXAMIDE DERIVATIVES FOR TREATING COGNITIVE IMPAIRMENT | THE ROCKEFELLER UNIVERSITY (US) | 2015-06-25 | — | — | WO | disclosed |
| 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 |