Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9407065 | 1.00 | AHR (0.45) | AHRSLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL2600068 | 0.82 | AHR (0.48) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL10796941 | 0.80 | NFE2L2 (0.46) | ALOX5PTGS1PTGS2CYP2C19FBP1 | |
| SCHEMBL9425926 | 0.77 | CYP2C19 (0.62) | HTR2AMAOBCYP2C19NPC1MAOA | |
| SCHEMBL3258195 | 0.77 | CYP2C19 (0.62) | HTR2AMAOBCYP2C19NPC1MAOA | |
| SCHEMBL31472231 | 0.75 | AHR (0.38) | AHRSLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL28449113 | 0.74 | AHR (0.41) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9227835 | 0.73 | AHR (0.48) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL260347 | 0.72 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL699666 | 0.72 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586418-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AG (DE) | 1994-03-16 | — | — | EP | disclosed |
| US-5283363-A | Reacting a halogeno(hetero)aryl compound with aminoalkynyl compounds; catalysts; hydrogenation | BAYER AKTIENGESELLSCHAFT (DE) | 1994-02-01 | — | — | US | disclosed |
| US-5276008-A | Herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-04 | — | — | US | disclosed |
| WO-1992020663-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-26 | — | — | WO | disclosed |
| EP-0502307-A2 | Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1992-09-09 | — | — | EP | disclosed |
| EP-0497133-A1 | Process for the preparation of (hetero)arylalk(en/in)-ylamines and (hetero)arylalkinylamines per se | BAYER AG (DE) | 1992-08-05 | — | — | EP | disclosed |