Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL8552881 | 1.00 | IDO1 (0.47) | IDO1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL31490478 | 1.00 | IDO1 (0.47) | IDO1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL7263051 | 0.98 | IDO1 (0.48) | IDO1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL15844755 | 0.91 | ALDH1A1 (0.42) | IDO1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL15844491 | 0.91 | ALDH1A1 (0.42) | IDO1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL4803094 | 0.88 | GBA1 (0.57) | CYP2D6CYP2C19CYP1A2DRD3GBA1 | |
| SCHEMBL28284434 | 0.88 | GBA1 (0.57) | CYP2D6CYP2C19CYP1A2DRD3GBA1 | |
| SCHEMBL11076774 | 0.85 | GBA1 (0.55) | CYP2D6CYP2C19CYP1A2DRD3GBA1 | |
| SCHEMBL3916886 | 0.83 | FYN (0.57) | IDO1DRD3FYNHTR2APSEN1 | |
| SCHEMBL9394961 | 0.80 | PSEN1 (0.48) | CYP2D6CYP2C19CYP1A2DRD3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991004027-A1 | NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) | PFIZER INC. (US) | 1991-04-04 | — | — | WO | disclosed |