Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aspirin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.53 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | GGT1 | P19440 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Aspirin SCHEMBL11851702 | 0.94 | KDM4E (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL4834297 | 0.94 | KDM4E (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL29743139 | 0.94 | KDM4E (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL25878 | 0.94 | KDM4E (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL25877 | 0.94 | KDM4E (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL29743138 | 0.91 | KDM4E (0.56) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL408904 | 0.91 | KDM4E (0.56) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL19030830 | 0.91 | KDM4E (0.56) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL2993825 | 0.91 | KDM4E (0.61) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL2993829 | 0.91 | KDM4E (0.61) | KDM4EHSD17B10HPGDALDH1A1PTGS2 |
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-1261347-B1 | THERAPEUTIC COMPOSITIONS AND METHODS FOR TREATING PERIODONTITIS WITH ANTIINFLAMATORY COMPOUNDS | UNIV RUTGERS (US) | 2009-09-30 | — | — | EP | disclosed |