Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5652935 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL21465820 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL9872486 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL11070462 | 0.85 | AOC3 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL11609717 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL341858 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL22562811 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL6937460 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL2086794 | 0.82 | TAAR1 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL10200947 | 0.82 | GABBR2 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C19L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007038669-A2 | DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS | IRM LLC (BM) | 2007-04-05 | — | — | WO | disclosed |
| EP-0024776-B1 | 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4322421-A | 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4261995-A | DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE | SYNTEX (U.S.A.) INC. (US) | 1981-04-14 | — | — | US | disclosed |
| EP-0024776-A1 | 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives | SYNTEX (U.S.A.) INC. (US) | 1981-03-11 | — | — | EP | disclosed |