Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diclofenac. 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 | 6/20 | 0.94 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.94 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.94 |
| ▸ | GAA | P10253 | 1/20 | 0.94 |
| ▸ | TSHR | P16473 | 1/20 | 0.94 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.94 |
| ▸ | BLM | P54132 | 1/20 | 0.94 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.94 |
| ▸ | TTR | P02766 | 3/20 | 0.73 |
| ▸ | CXCL8 | P10145 | 3/20 | 0.73 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.73 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.73 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.73 |
| ▸ | ALB | P02768 | 1/20 | 0.73 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.73 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.73 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Diclofenac SCHEMBL29385384 | 1.00 | PTGS2 (0.94) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL40784 | 1.00 | PTGS2 (0.94) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL1232980 | 0.98 | PTGS2 (0.97) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL24009 | 0.97 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL1650617 | 0.97 | PTGS2 (0.94) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL1244510 | 0.97 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL29350388 | 0.97 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL27229363 | 0.97 | PTGS2 (0.94) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL21048102 | 0.95 | PTGS2 (0.97) | PTGS2PTGS1CYP2C9CYP3A4GAA | |
| Diclofenac SCHEMBL6509233 | 0.95 | PTGS2 (0.97) | PTGS2PTGS1CYP2C9CYP3A4GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785780-A1 | OPHTHALMIC AND AURAL COMPOSITIONS CONTAINING DICLOFENAC POTASSIUM | Novartis AG (CH) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011003-A1 | OPHTHALMIC AND AURAL COMPOSITIONS CONTAINING DICLOFENAC POTASSIUM | NOVARTIS AG (CH) | 1996-04-18 | — | — | WO | disclosed |