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 | 0.65 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.65 |
| ▸ | HPGD | P15428 | 7/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.65 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.65 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | GGT1 | P19440 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CFD | P00746 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Ibuprofen SCHEMBL3185168 | 0.82 | PTGS1 (0.61) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL25219804 | 0.81 | KDM4E (0.80) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL1353 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL1331740 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL29350479 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL7580 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL10456693 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| SCHEMBL5834415 | 0.80 | KDM4E (0.51) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL590424 | 0.79 | KDM4E (0.89) | KDM4EHSD17B10HPGDALDH1A1PTGS2 | |
| Aspirin SCHEMBL21722099 | 0.79 | KDM4E (0.96) | 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 |
|---|---|---|---|---|---|---|---|
| US-7015247-B2 | Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs | GUTTAG ALVIN | 2006-03-21 | — | — | US | disclosed |
| US-20030008833-A1 | Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs | GUTTAG ALVIN (US) | 2003-01-09 | — | — | US | disclosed |
| US-6436916-B1 | PHENOLIC ESTERS OF IBUPROFEN WITH SALICYLIC ACID OR ITS NONTOXIC SALTS USED AS ANTITUMOR AGENT | GUTTAG ALVIN (US) | 2002-08-20 | — | — | US | disclosed |
| US-20020065254-A1 | Ibuprofen-aspirin and hydroxymethylacylfulvene analogs | GUTTAG ALVIN (US) | 2002-05-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020065254-A1 | Ibuprofen-aspirin and hydroxymethylacylfulvene analogs | PTGES3, HPGDS, PTGES | PTGS2 9/4885PTGS1 5/4885KDM4E 653/4885 |
| US-20030008833-A1 | Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs | GALE, TPT1, HPSE | PTGS2 53/4885PTGS1 35/4885KDM4E 1066/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.