Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7742216 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2C9MAPK1CYP2C19KDM4E | |
| SCHEMBL7747633 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2C9MAPK1CYP2C19KDM4E | |
| SCHEMBL7747626 | 0.95 | NAAA (0.50) | CYP1A2CYP2C9MAPK1CYP2C19KDM4E | |
| SCHEMBL7747870 | 0.95 | NAAA (0.50) | CYP1A2CYP2C9MAPK1CYP2C19KDM4E | |
| SCHEMBL7746333 | 0.95 | NAAA (0.50) | CYP1A2CYP2C9MAPK1CYP2C19KDM4E | |
| SCHEMBL7742209 | 0.94 | NAAA (0.53) | NAAA | |
| SCHEMBL7746826 | 0.94 | NAAA (0.53) | NAAA | |
| SCHEMBL7746325 | 0.94 | NAAA (0.53) | NAAA | |
| SCHEMBL7746335 | 0.94 | NAAA (0.53) | NAAA | |
| SCHEMBL7742205 | 0.94 | NAAA (0.53) | NAAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001018231-A2 | METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE | LONZA AG (CH) | 2001-03-15 | — | — | WO | disclosed |