Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 10/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 9/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 11/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6140102 | 0.84 | AKR1B1 (0.56) | AKR1B1AKR1A1PTGDR2PTGS1 | |
| SCHEMBL7755666 | 0.83 | AKR1B1 (0.58) | AKR1B1AKR1A1PTGDR2PTGS1CYP2C9 | |
| SCHEMBL7754910 | 0.83 | AKR1B1 (0.58) | AKR1B1AKR1A1PTGDR2PTGS1CYP2C9 | |
| SCHEMBL7755683 | 0.83 | AKR1A1 (0.58) | AKR1B1AKR1A1PTGDR2PTGS1 | |
| SCHEMBL7751532 | 0.81 | AKR1B1 (0.58) | AKR1B1AKR1A1PTGDR2PTGS1CYP2C9 | |
| SCHEMBL7951912 | 0.81 | AKR1A1 (0.60) | AKR1B1AKR1A1PTGDR2PTGS1CYP2C9 | |
| SCHEMBL2098715 | 0.80 | AKR1B1 (0.70) | AKR1B1AKR1A1PTGDR2 | |
| Water SCHEMBL5501664 | 0.79 | AKR1B1 (0.69) | AKR1B1AKR1A1PTGDR2 | |
| SCHEMBL2820038 | 0.79 | AKR1B1 (0.56) | AKR1B1AKR1A1PTGDR2 | |
| SCHEMBL5888935 | 0.79 | AKR1B1 (0.56) | AKR1B1AKR1A1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001064205-A2 | COMPOSITIONS CONTAINING A SUBSTITUTED INDOLEALKANOIC ACID AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2001-09-07 | — | — | WO | disclosed |