Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11275325 | 0.94 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11277913 | 0.83 | PPARA (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11539277 | 0.82 | MEN1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11268638 | 0.81 | PPARA (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL8496952 | 0.79 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11274755 | 0.79 | PPARA (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11001230 | 0.78 | PPARA (0.43) | CYP1A2CYP3A4CYP2C19CYP2D6MAPT | |
| SCHEMBL11276687 | 0.77 | PPARA (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11546404 | 0.76 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11282053 | 0.75 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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 |