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 | 1.00 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 1.00 |
| ▸ | HPGD | P15428 | 7/20 | 1.00 |
| ▸ | ESR1 | P03372 | 1/20 | 1.00 |
| ▸ | ITGB3 | P05106 | 1/20 | 1.00 |
| ▸ | ITGA2B | P08514 | 1/20 | 1.00 |
| ▸ | HMGB1 | P09429 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | GGT1 | P19440 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.86 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
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 SCHEMBL1331740 | 1.00 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL1353 | 1.00 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL29350479 | 1.00 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL7580 | 1.00 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL21722099 | 0.98 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL20484785 | 0.98 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL4303603 | 0.98 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL21488922 | 0.98 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL21328429 | 0.98 | KDM4E (0.96) | KDM4EHSD17B10ALDH1A1HPGDESR1 | |
| Aspirin SCHEMBL7762350 | 0.98 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2693876-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | Sphaera Pharma Pte. Ltd (SG) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012137225-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | SPHAERA PHARMA PVT. LTD (IN) | 2012-10-11 | — | — | WO | disclosed |
| US-4970202-A | ETHAMSYLATE MIXTURE; GASTROINTESTINAL BLEEDING PREVENTION | DELANDALE LABORATORIES LIMITED (GB) | 1990-11-13 | — | — | US | disclosed |
| US-4567137-A | Serum thrombin time in clinical medicine | PHILPOT VAN B | 1986-01-28 | — | — | US | disclosed |