Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 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 | |
|---|---|---|---|---|
| SCHEMBL14275214 | 0.74 | MAPT (0.34) | ALDH1A1CHRNA7KMT2A | |
| SCHEMBL1843873 | 0.70 | MAOB (0.39) | ALDH1A1MAOAMAOBKMT2A | |
| SCHEMBL4486104 | 0.70 | HTR6 (0.33) | — | |
| SCHEMBL30009253 | 0.69 | MAOB (0.40) | ALDH1A1MAOAMAOB | |
| SCHEMBL30630035 | 0.69 | MAOA (0.34) | MAOAMAOBSLC6A2HTR1A | |
| SCHEMBL13791492 | 0.69 | CYP2A6 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL30009763 | 0.69 | RIPK1 (0.36) | ALDH1A1HPGDMAOAMAOBSLC6A3 | |
| Hydrochloric Acid SCHEMBL31478169 | 0.68 | RIPK1 (0.35) | ALDH1A1HPGDMAOAMAOBKMT2A | |
| SCHEMBL12671459 | 0.66 | — | — | |
| SCHEMBL14870536 | 0.64 | CHRNB2 (0.59) | ALDH1A1BRD4CHRNB2CHRNB4CHRNA3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037411-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| CN-101137377-A | Tetracyclic amino and carboxamido compounds and methods of use thereof | INOTEK PHARMACEUTICALS CORP (US) | 2008-03-05 | — | — | CN | disclosed |
| CN-1170434-A | In vitro Induction of dopaminergic cells | NEUROSPHERES HOLDINGS LTD (US) | 1998-01-14 | — | — | CN | 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 |