Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 7/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048282 | 0.87 | S1PR1 (0.42) | SLC22A12S1PR1KDM1ACYP11B2RARB | |
| SCHEMBL9193119 | 0.87 | XDH (0.43) | SLC22A12CYP11B2CYP11B1 | |
| SCHEMBL7511320 | 0.85 | RARB (0.48) | SLC22A12S1PR1KDM1ACYP11B2RARB | |
| SCHEMBL4651808 | 0.83 | RARB (0.55) | SLC22A12RARBRARARARG | |
| SCHEMBL9186976 | 0.83 | MCL1 (0.44) | CYP11B2RARBCYP11B1RARA | |
| SCHEMBL6267138 | 0.82 | RARB (0.44) | SLC22A12KDM1ACYP11B2RARBCYP11B1 | |
| SCHEMBL7516262 | 0.82 | RARB (0.60) | SLC22A12RARBRARARARG | |
| SCHEMBL9192052 | 0.81 | CYP11B2 (0.37) | SLC22A12CYP11B2CYP11B1 | |
| SCHEMBL8034247 | 0.78 | CYP11B1 (0.41) | SLC22A12KDM1ACYP11B2RARBCYP11B1 | |
| SCHEMBL9193631 | 0.77 | KDM1A (0.37) | SLC22A12KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0464648-B1 | 4-Cyano-3-fluorophenyl esters | HOFFMANN LA ROCHE (CH) | 1995-12-06 | — | — | EP | disclosed |
| EP-0464648-A1 | 4-Cyano-3-fluorophenyl esters | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-08 | — | — | EP | disclosed |