Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.58 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 11/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19473603 | 1.00 | CYP2C9 (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL19473601 | 0.84 | XDH (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL38660766 | 0.82 | GABBR2 (0.47) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL1824102 | 0.81 | PTGS1 (0.74) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL1824103 | 0.81 | PTGS1 (0.74) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL19473606 | 0.78 | XDH (0.69) | GABBR2GABBR1PTGS1PTGS2ALOX5 | |
| SCHEMBL5849926 | 0.77 | XDH (0.63) | CYP2C9CYP3A4GABBR2GABBR1PTGS2 | |
| SCHEMBL143965 | 0.77 | CYP2C9 (0.56) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL14992948 | 0.75 | PTGS1 (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL6441622 | 0.75 | GABBR2 (0.48) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113230240-B | 1,3-diphenylprop-2-en-1-one derivative and application thereof | 广州医科大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-101370496-A | Novel thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-18 | — | — | CN | disclosed |