Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11082926 | 0.88 | ADRA1A (0.40) | BRD4NOS3NOS2 | |
| SCHEMBL11087057 | 0.84 | ABCB1 (0.35) | HTR2CHTR2BBRD4 | |
| SCHEMBL11076671 | 0.80 | ATM (0.36) | ACHEHTR2CHTR2BHCAR2 | |
| SCHEMBL11080571 | 0.78 | HTR2C (0.40) | HTR2CHTR2BBRD4TAAR1 | |
| SCHEMBL11079214 | 0.77 | KDM1A (0.41) | — | |
| SCHEMBL11078778 | 0.77 | BRD4 (0.37) | BRD4CYP2D6NOS3NOS1NOS2 | |
| SCHEMBL11083189 | 0.77 | ADRA1A (0.40) | BRD4TAAR1 | |
| SCHEMBL11110304 | 0.77 | BRD4 (0.57) | HTR2CHTR2BBRD4 | |
| SCHEMBL11076694 | 0.74 | ADRA2A (0.36) | HTR2CHTR2BBRD4 | |
| SCHEMBL11100035 | 0.74 | ATM (0.41) | ACHETAAR1NOS3 |
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 2 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 |
| 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 |