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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.56 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GGT1 | P19440 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 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 | |
|---|---|---|---|---|
| Aspirin SCHEMBL11231900 | 0.87 | HSD17B10 (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11225798 | 0.86 | KDM4E (0.67) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL10824793 | 0.86 | KDM4E (0.56) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11226914 | 0.86 | HSD17B10 (0.56) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11235284 | 0.83 | KDM4E (0.58) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11225201 | 0.82 | KDM4E (0.57) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11226856 | 0.82 | HPGD (0.60) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11230005 | 0.81 | HSD17B10 (0.52) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL6906125 | 0.80 | KDM4E (0.73) | KDM4EHSD17B10HPGDALDH1A1PTGS1 | |
| Aspirin SCHEMBL11224110 | 0.80 | KDM4E (0.53) | KDM4EHSD17B10HPGDALDH1A1PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4324801-A | ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTICOAGULANTS, INHIBITORS OF PROSTAGLANDIN FORMATION | BANYU PHARMACEUTICAL CO. LTD. (JP) | 1982-04-13 | — | — | US | claimed |
| US-4324801-A | ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTICOAGULANTS, INHIBITORS OF PROSTAGLANDIN FORMATION | BANYU PHARMACEUTICAL CO. LTD. (JP) | 1982-04-13 | — | — | US | disclosed |