Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL894805 | 0.83 | ERN1 (0.57) | ERN1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL18367731 | 0.81 | ERN1 (0.41) | ERN1PARP10PARP11ALDH1A1PDCD1 | |
| SCHEMBL8501853 | 0.80 | ERN1 (0.54) | ERN1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL7101000 | 0.80 | ERN1 (0.54) | ERN1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL4698367 | 0.79 | PDCD1 (0.48) | ALDH1A1PDCD1CD274 | |
| SCHEMBL31499183 | 0.79 | PDCD1 (0.48) | ALDH1A1PDCD1CD274 | |
| SCHEMBL30302117 | 0.78 | ERN1 (0.59) | ERN1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL21742825 | 0.78 | PTGS2 (0.54) | CYP2A6PARP10PARP11CYP3A4CYP2E1 | |
| SCHEMBL18378751 | 0.78 | CYP2A6 (0.56) | CYP2A6PARP10PARP11CYP3A4CYP2E1 | |
| SCHEMBL30395616 | 0.76 | ALDH1A1 (0.52) | ERN1CYP2A6ALDH1A1 |
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-4426524-A | Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates | FMC CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |