Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | AOC1 | P19801 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1920243 | 0.89 | AOC1 (0.50) | ROCK2ROCK1AOC1PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL3978097 | 0.88 | AOC1 (0.48) | ROCK2ROCK1CDC42BPBDYRK1ACTSL | |
| SCHEMBL29580887 | 0.82 | AOC1 (0.41) | ROCK2ROCK1AOC1PTGS1PTGS2 | |
| SCHEMBL377808 | 0.78 | CTSL (0.42) | CTSLCTSBCTSSCTSKCYP1A2 | |
| SCHEMBL14046305 | 0.77 | ROCK2 (0.50) | ROCK2ROCK1CDC42BPBDYRK1AAOC1 | |
| Hydrochloric Acid SCHEMBL29882259 | 0.77 | CTSL (0.41) | CTSLCTSBCTSSCTSKCYP1A2 | |
| SCHEMBL12634150 | 0.77 | ROCK2 (0.50) | ROCK2ROCK1CDC42BPBDYRK1AAOC1 | |
| SCHEMBL19520790 | 0.76 | AOC1 (0.57) | CTSKAOC1PTGS1PTGS2AOC3 | |
| Hydrochloric Acid SCHEMBL1878276 | 0.76 | ROCK2 (0.49) | ROCK2ROCK1CDC42BPBDYRK1AAOC1 | |
| SCHEMBL14046304 | 0.76 | ROCK2 (0.49) | ROCK2ROCK1CDC42BPBDYRK1AAOC1 |
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-2276730-A2 | CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009131669-A2 | CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | WO | disclosed |