Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tolmetin. 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 | 7/20 | 0.67 |
| ▸ | PTGS2 known ✓ | P35354 | 7/20 | 0.67 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.67 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.67 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.52 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.52 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8729355 | 0.88 | PTGS2 (0.68) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL3150 | 0.82 | PTGS2 (1.00) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL11325188 | 0.82 | PTGS2 (1.00) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL11486460 | 0.80 | PTGS2 (0.97) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL28562007 | 0.80 | PTGS2 (0.97) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL5980424 | 0.80 | PTGS2 (0.97) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL29461 | 0.80 | PTGS2 (0.97) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL3500471 | 0.79 | PTGS2 (0.94) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| Tolmetin SCHEMBL28723181 | 0.79 | PTGS2 (0.94) | PTGS1PTGS2CXCL8AKR1B1GLO1 | |
| SCHEMBL7678497 | 0.78 | PTGS2 (0.72) | PTGS1PTGS2CXCL8AKR1B1GLO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6841544-B2 | Composition and method for treating the effects of diseases and maladies | BIOSELECT INNOVATIONS, INC. (US) | 2005-01-11 | — | — | US | claimed |