Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | PPARA | Q07869 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
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 | 0.94 | PPARA (0.56) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11277557 | 0.91 | PPARA (0.53) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11270059 | 0.90 | PPARA (0.52) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11273717 | 0.84 | PPARA (0.44) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11396758 | 0.83 | OPRK1 (0.47) | OPRK1PPARACYP3A4EPHX2PPARG | |
| SCHEMBL11271870 | 0.82 | ALDH1A1 (0.43) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11271227 | 0.82 | ALDH1A1 (0.41) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11276215 | 0.81 | PPARA (0.53) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11285398 | 0.81 | CYP1A2 (0.40) | OPRK1PPARACYP3A4CYP1A2ABCB11 | |
| SCHEMBL11540397 | 0.81 | OPRK1 (0.44) | OPRK1PPARACYP3A4CYP1A2ABCB11 |
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 |