Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL13795689 | 0.87 | CYP2D6 (0.42) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL8285923 | 0.87 | CYP2D6 (0.42) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL25066278 | 0.87 | CYP2D6 (0.42) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| Hydrochloric Acid SCHEMBL4936305 | 0.85 | ALDH1A1 (0.44) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| Hydrochloric Acid SCHEMBL14120793 | 0.85 | ALDH1A1 (0.44) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL5012621 | 0.80 | GABRA1 (0.41) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL14840583 | 0.80 | GABRA1 (0.41) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL9197147 | 0.80 | ADRA2A (0.48) | GABRA1GABRB2CYP2D6TSHRSLC6A2 | |
| SCHEMBL545484 | 0.78 | GABRA1 (0.46) | GABRA1GABRB2TSHRSLC6A2SLC6A4 | |
| SCHEMBL29657207 | 0.78 | GABRA1 (0.46) | GABRA1GABRB2TSHRSLC6A2SLC6A4 |
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 |