Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.52 |
| ▸ | SLC9A1 | P19634 | 8/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2721771 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL20294466 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL8062145 | 0.81 | SLC9A1 (0.52) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL7526304 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL6794284 | 0.79 | SLC9A1 (0.54) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL29479858 | 0.79 | SLC9A1 (0.54) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL8601954 | 0.78 | MAPT (0.48) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL13275470 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL28458742 | 0.77 | SLC9A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL5200373 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 |
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-6057336-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-02 | — | — | US | disclosed |