Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215701 | 0.89 | TAAR1 (0.52) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL9917315 | 0.83 | TAAR1 (0.54) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL4707964 | 0.83 | TAAR1 (0.55) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL3609070 | 0.82 | TAAR1 (0.48) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL3609066 | 0.82 | TAAR1 (0.48) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL11460625 | 0.80 | TAAR1 (0.50) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| Clortermine SCHEMBL164137 | 0.79 | PNMT (0.52) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| Clortermine SCHEMBL30295323 | 0.79 | PNMT (0.52) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| Clortermine SCHEMBL30791298 | 0.78 | PNMT (0.50) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| Clortermine SCHEMBL266778 | 0.78 | PNMT (0.50) | TAAR1SLC6A2SLC6A4SLC6A3AOC3 |
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 8 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 |
| US-5273958-A | A 1-(1-alkyl-3-phenylpropylaminocarbonyl)-3-alkyl-4-amino-5-oxo or thio-2-1H-1,2,4-triazoline | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |
| WO-1992020663-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-26 | — | — | WO | disclosed |
| EP-0511569-A1 | Substituted triazolinone | BAYER AG (DE) | 1992-11-04 | — | — | EP | 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 |