Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | BAD | Q92934 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5910306 | 0.95 | KCNQ2 (0.44) | KCNQ2EPHX1 | |
| SCHEMBL8813089 | 0.84 | AKR1C3 (0.52) | FFAR1BCL2L1BADAKR1C3AKR1C2 | |
| SCHEMBL23003724 | 0.81 | KCNQ2 (0.47) | KCNQ2 | |
| SCHEMBL27658097 | 0.81 | ALDH1A1 (0.45) | EPHX1 | |
| SCHEMBL15434306 | 0.78 | EPHX1 (0.43) | SCN9AEPHX1 | |
| SCHEMBL26898446 | 0.78 | ALDH1A1 (0.50) | EPHX1 | |
| SCHEMBL28234925 | 0.78 | CRHBP (0.53) | EPHX1 | |
| SCHEMBL4943215 | 0.78 | LMNA (0.54) | EPHX1 | |
| SCHEMBL9587806 | 0.78 | KCNQ2 (0.45) | KCNQ2 | |
| SCHEMBL15434362 | 0.78 | EPHX1 (0.43) | SCN9AEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5684152-A | CARBOXY DERIVATIVES FOR TREATMENT OF CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1997-11-04 | — | — | US | disclosed |
| WO-1997011936-A1 | PREPARATION OF CARBOXYALKYL DERIVATIVES | MERCK & CO., INC. (US) | 1997-04-03 | — | — | WO | disclosed |