Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTPA | P49638 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8126095 | 0.89 | ACHE (0.48) | HTTSMN1; SMN2MEN1ALDH1A1HPGD | |
| SCHEMBL8135288 | 0.88 | PSEN1 (0.41) | TTPAHTTSMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL8131088 | 0.86 | PTGS1 (0.49) | TTPAPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8124729 | 0.83 | KMT2A (0.49) | HTTSMN1; SMN2MEN1ALDH1A1HPGD | |
| SCHEMBL8137036 | 0.81 | ALOX5 (0.44) | HTTSMN1; SMN2MEN1ALDH1A1HPGD | |
| SCHEMBL11701054 | 0.77 | PSEN1 (0.56) | TTPAPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8129063 | 0.77 | HTT (0.45) | HTTSMN1; SMN2MEN1ALDH1A1HPGD | |
| Dimethylamine SCHEMBL8131335 | 0.76 | TTPA (0.53) | TTPAMEN1KMT2APTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL8131330 | 0.75 | TTPA (0.44) | TTPAPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL2140140 | 0.74 | PSEN1 (0.53) | TTPAPTGS1PTGS2CYP1A2CYP3A4 |
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 |