Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11272661 | 0.97 | PPARA (0.56) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11270059 | 0.94 | PPARA (0.52) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11278396 | 0.91 | OPRK1 (0.58) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11266219 | 0.88 | MAPT (0.47) | PPARACYP1A2PPARGLMNAMAPT | |
| SCHEMBL11273717 | 0.87 | PPARA (0.44) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11271870 | 0.85 | ALDH1A1 (0.43) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11271227 | 0.85 | ALDH1A1 (0.41) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11276215 | 0.85 | PPARA (0.53) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11285398 | 0.84 | CYP1A2 (0.40) | PPARACYP3A4ABCB11CYP1A2TSHR | |
| SCHEMBL11272628 | 0.84 | CYP3A4 (0.52) | PPARACYP3A4ABCB11CYP1A2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4331674-A | Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |