Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.40 |
| ▸ | TEK | Q02763 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8572249 | 0.86 | ENPP2 (0.35) | KDRTEKCHRM5CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL29995671 | 0.85 | ENPP2 (0.34) | CHRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL26922879 | 0.85 | ENPP2 (0.34) | CHRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31375498 | 0.84 | MKNK1 (0.44) | KDRTEKCHRM5CYP1A2CYP3A4 | |
| SCHEMBL9156095 | 0.84 | KDR (0.40) | KDRTEKCHRM5CYP1A2CYP3A4 | |
| SCHEMBL9154058 | 0.81 | ELOVL1 (0.41) | KDRTEKCHRM5CYP1A2CYP3A4 | |
| SCHEMBL9158700 | 0.79 | RARB (0.41) | KDRTEKCYP1A2CYP3A4ELOVL1 | |
| SCHEMBL9155978 | 0.78 | MAPT (0.46) | — | |
| SCHEMBL1820732 | 0.77 | CYP19A1 (0.47) | KDRTEKELOVL1EPHB4NAAA | |
| SCHEMBL3602312 | 0.75 | ALDH1A1 (0.47) | CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119677733-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-03-21 | — | — | CN | disclosed |