Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CEL | P19835 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL903655 | 1.00 | CYP1A2 (0.50) | CYP1A2SIGMAR1ALDH1A1CELEPHX1 | |
| SCHEMBL24622845 | 0.93 | ALDH1A1 (0.50) | CYP1A2SIGMAR1ALDH1A1CELEPHX1 | |
| SCHEMBL23135362 | 0.91 | ALDH1A1 (0.54) | CYP1A2SIGMAR1ALDH1A1EPHX1NAAA | |
| SCHEMBL17145417 | 0.87 | — | — | |
| SCHEMBL1499255 | 0.85 | CYP1A2 (0.42) | CYP1A2SIGMAR1ALDH1A1TSHR | |
| SCHEMBL3238487 | 0.85 | CYP1A2 (0.42) | CYP1A2SIGMAR1ALDH1A1TSHR | |
| SCHEMBL433045 | 0.82 | ALDH1A1 (0.54) | CYP1A2SIGMAR1ALDH1A1EPHX1TSHR | |
| SCHEMBL4969658 | 0.82 | CYP1A2 (0.68) | CYP1A2SIGMAR1CELEPHX1SLC18A3 | |
| SCHEMBL11503388 | 0.82 | CYP1A2 (0.68) | CYP1A2SIGMAR1CELEPHX1SLC18A3 | |
| SCHEMBL10579794 | 0.82 | CYP1A2 (0.68) | CYP1A2SIGMAR1CELEPHX1SLC18A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046961-B1 | EPOXY-CYCLOALKYLALKANECARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1985-02-13 | — | — | EP | disclosed |