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 | 0.56 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 SCHEMBL2174051 | 0.88 | KDM4E (0.58) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL27691894 | 0.88 | KDM4E (0.58) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| SCHEMBL3259181 | 0.82 | PTGS2 (0.45) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL10648794 | 0.81 | KDM4E (0.58) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL17785144 | 0.80 | KDM4E (0.57) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL17785146 | 0.80 | KDM4E (0.57) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL3005470 | 0.78 | KDM4E (0.75) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL11810401 | 0.78 | KDM4E (0.80) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| SCHEMBL2174056 | 0.78 | PTGS2 (0.47) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL17785143 | 0.78 | KDM4E (0.57) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190853-A1 | HALIDE-FREE GLUCOSAMINE-ACIDIC DRUG COMPLEXES | Gluconova LLC (US) | 2010-06-02 | — | — | EP | disclosed |
| US-7662802-B2 | Halide-free glucosamine-acidic drug complexes | Gluconova, LLC (US) | 2010-02-16 | — | — | US | disclosed |
| WO-2009002297-A1 | HALIDE-FREE GLUCOSAMINE-ACIDIC DRUG COMPLEXES | GLUCONOVA LLC (US) | 2008-12-31 | — | — | WO | disclosed |
| US-20070249735-A1 | Halide-free glucosamine-acidic drug complexes | JF C TECHNOLOGIES, LLC | 2007-10-25 | — | — | US | disclosed |