Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 8/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11193326 | 0.87 | CYP2A13 (0.75) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL3738488 | 0.86 | CYP2A13 (0.69) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL4106074 | 0.83 | CYP2A13 (0.65) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL11633772 | 0.79 | LMNA (0.58) | ALDH1A1CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL4108619 | 0.79 | CYP2A13 (0.69) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL22711364 | 0.79 | CYP2A13 (0.64) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL2251851 | 0.79 | CYP2A13 (0.64) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL111727 | 0.79 | CYP2A13 (0.64) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 | |
| SCHEMBL3311657 | 0.79 | CYP2A13 (1.00) | CYP2A13ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL11687467 | 0.78 | CYP2A13 (0.58) | CYP2A13ALDH1A1CYP2C9KMT2AALOX15 |
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-0311948-A2 | Quinolonecarboxylic acid compounds and pharmaceutical use thereof | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1989-04-19 | — | — | EP | disclosed |