Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 3/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | PRKCG | P05129 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | PRKCH | P24723 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5936333 | 0.79 | NFKB1 (0.31) | ALDH1A1CYP1A2NFKB1NFKB2RELA | |
| SCHEMBL665431 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL663913 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL5936320 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL665814 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL5936321 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL5936399 | 0.76 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CES2PRKCADAGLA | |
| SCHEMBL7310166 | 0.72 | GRM2 (0.34) | GRM2 | |
| SCHEMBL7307807 | 0.71 | — | — | |
| SCHEMBL5914547 | 0.70 | NFKB1 (0.36) | ALDH1A1NFKB1NFKB2RELAGRM2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818443-B1 | Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases | AMERICAN CYANAMID CO (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6160132-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| US-6124502-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| US-5852213-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0818443-A2 | Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases | American Cyanamid Company (US) | 1998-01-14 | — | — | EP | disclosed |