Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11536661 | 0.95 | PPARG (0.45) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL11539084 | 0.90 | GRIN2D (0.38) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL11544832 | 0.88 | TDP1 (0.47) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL11535530 | 0.88 | TDP1 (0.53) | TSHRSMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL11541146 | 0.88 | PPARA (0.41) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL11540833 | 0.88 | PPARA (0.38) | CYP1A2CYP3A4CYP2C19PMP22TSHR | |
| SCHEMBL10916454 | 0.87 | SSTR4 (0.45) | CYP1A2CYP3A4CYP2C19PMP22TSHR | |
| SCHEMBL11537279 | 0.86 | GRIN2D (0.39) | CYP1A2CYP3A4CYP2C19PMP22TSHR | |
| SCHEMBL11538989 | 0.86 | MAPT (0.37) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL11535041 | 0.85 | MAPT (0.47) | POLBTSHRALDH1A1 |
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-4154842-A | Fungicidally and bactericidally active 1-azolyl-4-hydroxy-1-phenoxy-butane derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1979-05-15 | — | — | US | disclosed |