Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559200 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9HDAC7CYP3A4 | |
| SCHEMBL10852201 | 0.81 | CYP3A4 (0.40) | ALDH1A1CYP1A2CYP2C9HDAC7CYP3A4 | |
| SCHEMBL4218555 | 0.81 | CTRB1 (0.46) | ALDH1A1CYP1A2CYP2C9HDAC7CYP3A4 | |
| SCHEMBL28653694 | 0.80 | CYP3A4 (0.52) | ALDH1A1CYP1A2CYP2C9HDAC7CYP3A4 | |
| SCHEMBL30506097 | 0.80 | CYP3A4 (0.52) | ALDH1A1CYP1A2CYP2C9HDAC7CYP3A4 | |
| SCHEMBL14699922 | 0.78 | LMNA (0.41) | ALDH1A1CYP1A2CYP2C9TNFL3MBTL1 | |
| SCHEMBL13451810 | 0.78 | LMNA (0.41) | ALDH1A1CYP1A2CYP2C9TNFL3MBTL1 | |
| SCHEMBL20346782 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9KDM4EMAPT | |
| SCHEMBL12381609 | 0.76 | LMNA (0.39) | ALDH1A1CYP1A2CYP2C9MAPTPOLB | |
| SCHEMBL14699783 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9TNFL3MBTL1 |
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-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |