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 | 1/20 | 0.96 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.96 |
| ▸ | HPGD | P15428 | 7/20 | 0.96 |
| ▸ | ESR1 | P03372 | 1/20 | 0.96 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.96 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.96 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | GGT1 | P19440 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.96 |
| ▸ | LMNA | P02545 | 1/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
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 SCHEMBL29350479 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL1353 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL10456693 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL1331740 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL7580 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL26229 | 0.96 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL20484785 | 0.96 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL4534923 | 0.96 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL21722099 | 0.96 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL7762350 | 0.96 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 |
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-11523627-B2 | Methods of reducing a concentration of formaldehyde in aqueous solutions of sugar carbonyls | KERRY GROUP SERVICES INTERNATIONAL LIMITED (IE) | 2022-12-13 | — | — | US | disclosed |
| US-20190320696-A1 | METHODS OF REDUCING A CONCENTRATION OF FORMALDEHYDE IN AQUEOUS SOLUTIONS OF SUGAR CARBONYLS | Kerry Luxembourg S.à.rl. (LU) | 2019-10-24 | — | — | US | disclosed |