Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11074337 | 0.84 | CYP2D6 (0.39) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| SCHEMBL3667006 | 0.83 | CYP1A2 (0.42) | TAAR1TDP1BLMSMN1; SMN2CYP2C9 | |
| SCHEMBL11073428 | 0.82 | GABBR2 (0.50) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| SCHEMBL11080663 | 0.82 | SLC6A4 (0.46) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| SCHEMBL11083248 | 0.82 | GABBR2 (0.51) | TAAR1BLMSMN1; SMN2CYP2C9SLC6A2 | |
| SCHEMBL11083399 | 0.82 | TDP1 (0.36) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| SCHEMBL11079597 | 0.82 | TAAR1 (0.53) | TAAR1SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL29345484 | 0.82 | ADRA2A (0.40) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| SCHEMBL11079411 | 0.81 | TDP1 (0.41) | TAAR1TDP1ALDH1A1KDM4EHIF1A | |
| Hydrochloric Acid SCHEMBL11079216 | 0.80 | TAAR1 (0.57) | TAAR1SLC6A2SLC6A4CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |