Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 3/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 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 | |
|---|---|---|---|---|
| SCHEMBL381471 | 0.89 | NISCH (0.56) | NISCHCYP2D6NFKB1CXCL8 | |
| SCHEMBL19244855 | 0.88 | MEN1 (0.41) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL381228 | 0.85 | MEN1 (0.39) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL19244878 | 0.84 | OPRM1 (0.39) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16674049 | 0.82 | MEN1 (0.37) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL19244879 | 0.82 | MEN1 (0.37) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL380995 | 0.80 | KMT2A (0.36) | CYP2D6NFKB1MEN1KMT2ACXCL8 | |
| SCHEMBL381522 | 0.79 | MEN1 (0.35) | CYP2D6NFKB1MEN1KMT2AALDH1A1 | |
| SCHEMBL417713 | 0.79 | OPRM1 (0.38) | MEN1KMT2AMAPK1TAS1R3TAS1R1 | |
| SCHEMBL382379 | 0.76 | NISCH (0.43) | NISCHCYP2D6NFKB1CXCL8 |
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 |