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 | 0.49 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Caffeine SCHEMBL18152858 | 0.81 | ADORA2B (0.56) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| Etamiphyllin SCHEMBL10386653 | 0.74 | ADORA2B (0.52) | ALDH1A1TSHRLMNAMAPK1ADORA2B | |
| SCHEMBL684046 | 0.73 | ADORA2B (0.47) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL7654557 | 0.72 | CA1 (0.35) | KDM4EALDH1A1HPGDTSHRLMNA | |
| SCHEMBL5467452 | 0.71 | SMN1; SMN2 (0.63) | ALDH1A1TSHRTDP1LMNACYP1A2 | |
| Aspirin SCHEMBL9066918 | 0.70 | KDM4E (0.80) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| Aspirin SCHEMBL1353 | 0.70 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| Aspirin SCHEMBL29350479 | 0.70 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| Aspirin SCHEMBL10456693 | 0.70 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| Aspirin SCHEMBL7580 | 0.70 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070082918-A1 | NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES | NAFTCHI N E | 2007-04-12 | — | — | US | disclosed |
| US-7109329-B2 | Neurologically active compounds and compounds with multiple activities | NAFTCHI N ERIC | 2006-09-19 | — | — | US | disclosed |
| US-6413962-B1 | ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION | NAFTCHI N ERIC (US) | 2002-07-02 | — | — | 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 (1 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-20070082918-A1 | NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES | ADRB2, ADRB1, CHRNA7 | PTGS1 1699/4885PTGS2 1961/4885KDM4E 4708/4885 |
“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.