Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL928913 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL3228019 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL13537596 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL31254224 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL18428269 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8319003 | 0.81 | SIGMAR1 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL21480263 | 0.80 | KDM4E (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL21480267 | 0.80 | KDM4E (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL15312513 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL17463418 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E |
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-0705828-B1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1999-12-01 | — | — | EP | claimed |
| US-5679689-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |