Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248875 | 0.82 | CYP2A6 (0.49) | NPC1RAB9ACYP2A6CYP3A4CYP2E1 | |
| SCHEMBL21742825 | 0.81 | PTGS2 (0.54) | NPC1RAB9ACYP2A6CYP3A4CYP2E1 | |
| SCHEMBL18378751 | 0.81 | CYP2A6 (0.56) | NPC1RAB9ACYP2A6CYP3A4CYP2E1 | |
| SCHEMBL551165 | 0.81 | NPC1 (0.65) | NPC1RAB9ACYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL29412319 | 0.80 | MAPK14 (0.56) | NPC1RAB9ACYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL21489665 | 0.80 | NPC1 (0.51) | NPC1RAB9ACYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL4248368 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL1771368 | 0.79 | TP53 (0.50) | NPC1RAB9ACYP2A6CYP3A4CYP2E1 | |
| SCHEMBL1130074 | 0.79 | CYP2A6 (0.49) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL16110614 | 0.79 | CYP17A1 (0.50) | NPC1RAB9ACYP2A6CYP3A4ALDH1A1 |
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 |