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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.97 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.97 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.97 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.97 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.97 |
| ▸ | HPGD | P15428 | 1/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tolmetin SCHEMBL11325188 | 0.98 | PTGS2 (1.00) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL3150 | 0.98 | PTGS2 (1.00) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL29461 | 0.97 | PTGS2 (0.97) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL11486460 | 0.97 | PTGS2 (0.97) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL5980424 | 0.97 | PTGS2 (0.97) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL3500471 | 0.95 | PTGS2 (0.94) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL28723181 | 0.95 | PTGS2 (0.94) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| SCHEMBL8729441 | 0.94 | PTGS2 (0.91) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL10814156 | 0.93 | PTGS2 (0.89) | PTGS2CXCL8AKR1B1PTGS1GLO1 | |
| Tolmetin SCHEMBL28221483 | 0.92 | PTGS2 (0.86) | PTGS2CXCL8AKR1B1PTGS1GLO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112672763-A | Compositions and methods for metal-containing formulations capable of modulating immune responses | 密执安大学评议会 | 2021-04-16 | — | — | CN | claimed |
| CN-112672763-A | Compositions and methods for metal-containing formulations capable of modulating immune responses | 密执安大学评议会 | 2021-04-16 | — | — | CN | disclosed |
| CN-112585690-A | System and method for producing individualized individual unit doses containing a pharmaceutically active substance | 阿奎斯蒂弗医疗股份有限公司 | 2021-03-30 | — | — | CN | disclosed |