Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | HPD | P32754 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9732944 | 0.91 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9734019 | 0.88 | ALDH1A1 (0.59) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9733771 | 0.82 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9733835 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19MAPTKDM4E | |
| SCHEMBL9733308 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP2D6CYP2C19MAPTPOLB | |
| SCHEMBL9733819 | 0.80 | L3MBTL1 (0.46) | ALDH1A1CYP2D6CYP2C19MAPTKDM4E | |
| SCHEMBL9733191 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9734089 | 0.78 | GRM5 (0.50) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9733040 | 0.77 | ALDH1A1 (0.60) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9733338 | 0.77 | CA2 (0.47) | ALDH1A1CYP2D6CYP2C19MAPTCA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5124331-A | Anticancer agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-06-23 | — | — | US | disclosed |
| EP-0364598-A1 | 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-25 | — | — | EP | disclosed |