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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 12/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 9/20 | 0.64 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.64 |
| ▸ | MRGPRX2 | Q96LB1 | 3/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Codeine SCHEMBL27095402 | 0.90 | OPRD1 (0.71) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Codeine SCHEMBL1642447 | 0.89 | OPRD1 (0.74) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| SCHEMBL29479412 | 0.88 | OPRM1 (0.82) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| SCHEMBL24579 | 0.88 | OPRM1 (0.82) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| SCHEMBL4335319 | 0.88 | OPRM1 (0.69) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Water SCHEMBL30166501 | 0.87 | OPRM1 (0.81) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Hydrochloric Acid SCHEMBL28121142 | 0.87 | OPRM1 (0.81) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Water SCHEMBL29938850 | 0.87 | OPRM1 (0.81) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Water SCHEMBL6063509 | 0.87 | OPRM1 (0.81) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 | |
| Codeine SCHEMBL11057867 | 0.82 | OPRM1 (0.63) | OPRM1OPRK1OPRD1MRGPRX2ADRB1 |
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-8894974-B2 | Radiopharmaceuticals for diagnosis and therapy | SPECTRUM DYNAMICS LLC (US) | 2014-11-25 | — | — | US | disclosed |
| US-20070265230-A1 | Radiopharmaceuticals For Diagnosis And Therapy | Spectrum Dynamics Medical Limited (VG) | 2007-11-15 | — | — | US | disclosed |
| EP-0159852-A2 | Directly compressible pharmaceutical compositions | MALLINCKRODT, INC.(a Missouri corporation) (US) | 1985-10-30 | — | — | EP | disclosed |