Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 5/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TOP1 | P11387 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2915542 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL2922324 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL2919764 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL2915100 | 0.89 | CYP3A4 (0.63) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL2922393 | 0.88 | CYP3A4 (0.62) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL2920475 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| Fumaric Acid SCHEMBL2924699 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| Maleic Acid SCHEMBL2924695 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL2919763 | 0.84 | CYP3A4 (0.55) | CYP3A4CYP2C9KCNH2KDM4EHPGD | |
| SCHEMBL3531334 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9KDM4EHPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713997-B2 | Pyridonecarboxylic acid derivatives or salts thereof | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2010-05-11 | — | — | US | claimed |
| EP-1813610-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | WAKUNAGA PHARMA CO LTD (JP) | 2010-09-08 | — | — | EP | disclosed |
| EP-1813610-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-01 | — | — | EP | disclosed |