Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11271227 | 0.88 | ALDH1A1 (0.41) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11271870 | 0.88 | ALDH1A1 (0.43) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11272661 | 0.86 | PPARA (0.56) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11266219 | 0.85 | MAPT (0.47) | CYP1A2PPARAMAPTSMN1; SMN2LMNA | |
| SCHEMBL11277557 | 0.84 | PPARA (0.53) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11271624 | 0.84 | SMN1; SMN2 (0.47) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11270059 | 0.83 | PPARA (0.52) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11276072 | 0.83 | HRH2 (0.40) | CYP1A2PPARAABCB11CYP3A4TSHR | |
| SCHEMBL11276223 | 0.82 | MAPT (0.46) | HTR2AMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11278396 | 0.81 | OPRK1 (0.58) | CYP1A2PPARAABCB11CYP3A4TSHR |
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 |