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 | 7/20 | 0.67 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | ESR1 | P03372 | 2/20 | 0.67 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.67 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.67 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.67 |
| ▸ | GGT1 | P19440 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Palmitic Acid SCHEMBL17079878 | 1.00 | PTGS2 (0.67) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Behenic Acid SCHEMBL18241553 | 1.00 | PTGS2 (0.67) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Stearic Acid SCHEMBL18587174 | 1.00 | PTGS2 (0.67) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Dodecanoate SCHEMBL17079885 | 1.00 | PTGS2 (0.67) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Oleic Acid SCHEMBL8993593 | 0.93 | ALDH1A1 (0.57) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Oleic Acid SCHEMBL8993588 | 0.93 | ALDH1A1 (0.57) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Arachidonic Acid SCHEMBL8816315 | 0.86 | ALDH1A1 (0.58) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Aspirin SCHEMBL10422198 | 0.85 | KDM4E (0.55) | PTGS2KDM4EHSD17B10ALDH1A1TSHR | |
| Octanedioate SCHEMBL30999498 | 0.84 | ALDH1A1 (0.67) | KDM4EALDH1A1MEN1KMT2ARECQL | |
| Aspirin SCHEMBL27308245 | 0.84 | PTGS2 (0.69) | PTGS2KDM4EHSD17B10ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5498729-A | MIXED ANHYDRIDES | DOMB ABRAHAM J (IL) | 1996-03-12 | — | — | US | disclosed |
| EP-0510080-A4 | PRODRUG ANHYDRIDES OF ASPRIN, INDOMETHACIN AND IBUPROFEN, THEIR PREPARATION, COMPOSITIONS, AND ANTI-INFLAMMATORY METHOD OF USE | — | 1992-12-02 | — | — | EP | disclosed |
| EP-0510080-A1 | PRODRUG ANHYDRIDES OF ASPRIN, INDOMETHACIN AND IBUPROFEN, THEIR PREPARATION, COMPOSITIONS, AND ANTI-INFLAMMATORY METHOD OF USE | NOVA PHARMACEUTICAL CORPORATION (US) | 1992-10-28 | — | — | EP | disclosed |
| WO-1991009831-A1 | PRODRUG ANHYDRIDES OF ASPRIN, INDOMETHACIN AND IBUPROFEN, THEIR PREPARATION, COMPOSITIONS, AND ANTI-INFLAMMATORY METHOD OF USE | NOVA PHARMACEUTICAL CORPORATION (US) | 1991-07-11 | — | — | WO | disclosed |