Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764737 | 0.87 | MAPT (0.68) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814439 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21818906 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814542 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814429 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814478 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814443 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814430 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814576 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21814433 | 0.85 | ALDH1A1 (0.70) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 |
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-2013036766-A1 | SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-03-14 | — | — | WO | disclosed |