Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327915 | 0.85 | CYP2A6 (0.45) | MAPK1ALDH1A1KDM4EPOLBCYP17A1 | |
| SCHEMBL8327878 | 0.82 | CCNA2 (0.34) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8329211 | 0.81 | KDM4E (0.43) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8325078 | 0.81 | DUSP10 (0.47) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8325285 | 0.74 | CCNA2 (0.54) | — | |
| SCHEMBL8326631 | 0.70 | KDM4E (0.43) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8326151 | 0.70 | CYP1A2 (0.41) | ALDH1A1KDM4EPOLBCYP17A1CYP19A1 | |
| SCHEMBL8327012 | 0.69 | CYP2A6 (0.46) | ALDH1A1KDM4EPOLBCYP17A1CYP19A1 | |
| SCHEMBL13373278 | 0.68 | KDM4E (0.44) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8326389 | 0.67 | CCNT1 (0.39) | SLC22A12MAPK1ALDH1A1KDM4ECYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | claimed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | claimed |
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | disclosed |