Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5029833 | 0.78 | LRRK2 (0.32) | KDM4EALDH1A1HPGD | |
| SCHEMBL5029782 | 0.78 | KCNH2 (0.32) | KDM4EALDH1A1HPGD | |
| SCHEMBL1345017 | 0.74 | CYP1A2 (0.59) | KDM4ECYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL20258340 | 0.73 | CYP1A2 (0.42) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8559994 | 0.72 | CYP1A2 (0.40) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9535556 | 0.71 | ALDH1A1 (0.48) | KDM4ELMNACYP1A2ALDH1A1HPGD | |
| SCHEMBL8561725 | 0.70 | CYP1A2 (0.38) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6584701 | 0.68 | HTR3E (0.43) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1973321 | 0.68 | STAT3 (0.40) | KDM4EALDH1A1HPGD | |
| SCHEMBL4735055 | 0.67 | ALDH1A1 (0.48) | ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1768973-A1 | SUBSTITUTED QUINOLONES | AiCuris GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006008046-A1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO. KG (DE) | 2006-01-26 | — | — | WO | disclosed |