Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 15/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 14/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131088 | 0.85 | PTGS1 (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8126095 | 0.84 | ACHE (0.48) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8130061 | 0.82 | CYP4F2 (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8116810 | 0.80 | CYP4F2 (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2058898 | 0.78 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059215 | 0.78 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059248 | 0.78 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2058902 | 0.78 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059232 | 0.77 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15820257 | 0.77 | PTGS1 (0.65) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 |