Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TOP1 | P11387 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | TOP2A | P11388 | 5/20 | 0.30 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861212 | 0.91 | CYP3A4 (0.53) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL2912243 | 0.91 | CYP2C9 (0.62) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| Fumaric Acid SCHEMBL2922599 | 0.87 | CYP2C9 (0.58) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| Maleic Acid SCHEMBL2922594 | 0.87 | CYP2C9 (0.58) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL27462343 | 0.86 | CYP3A4 (0.51) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL2921570 | 0.81 | CYP3A4 (0.65) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL2920475 | 0.81 | CYP3A4 (0.52) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL6281366 | 0.81 | CYP2C9 (0.77) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| SCHEMBL2918028 | 0.81 | CYP3A4 (0.62) | CYP2C9CYP3A4TOP1KCNH2KDM4E | |
| Hydrochloric Acid SCHEMBL2923148 | 0.80 | CYP3A4 (0.62) | CYP2C9CYP3A4TOP1KCNH2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1193266-B1 | QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-27 | — | — | EP | claimed |