Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL16674049 | 0.90 | MEN1 (0.37) | ALDH1A1GAACNR1CPA1CYP2D6 | |
| SCHEMBL382671 | 0.82 | CNR1 (0.44) | ALDH1A1CNR1CPA1CYP3A4 | |
| SCHEMBL382379 | 0.82 | NISCH (0.43) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL381471 | 0.81 | NISCH (0.56) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL19244837 | 0.80 | NISCH (0.41) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL409383 | 0.80 | OPRM1 (0.39) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL19244810 | 0.79 | OPRM1 (0.48) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL381817 | 0.78 | OPRM1 (0.39) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL19244867 | 0.75 | OPRM1 (0.42) | OPRM1NISCHADRB2ADRB1CYP2D6 | |
| SCHEMBL21632143 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GAACNR1CPA1ADRB2 |
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-2408751-B1 | Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof | BAYER IP GMBH (DE) | 2017-08-23 | — | — | EP | disclosed |
| EP-2619188-B1 | SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-06 | — | — | EP | disclosed |
| EP-2408751-A1 | Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof | Bayer Pharma Aktiengesellschaft (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010105770-A1 | SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-23 | — | — | WO | disclosed |