Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 10/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM6A | O15550 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131655 | 0.72 | PTGS1 (0.52) | MAOBPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8131088 | 0.70 | PTGS1 (0.49) | MAOBPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8116810 | 0.70 | CYP4F2 (0.49) | TP53PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8130061 | 0.69 | CYP4F2 (0.42) | MAOBPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8127195 | 0.68 | KDM4E (0.40) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL3686713 | 0.67 | KDM4E (0.58) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL3083137 | 0.67 | KDM4E (0.61) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL8600719 | 0.67 | PTGS1 (0.51) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL8092834 | 0.66 | KDM4E (0.56) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL5085644 | 0.65 | KDM4E (0.58) | KDM4ETP53CYP2D6HTTSMN1; SMN2 |
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-1006108-A1 | 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers | Cerebrus Pharmaceuticals Limited (GB) | 2000-06-07 | — | — | EP | disclosed |