Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL13637077 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL16791621 | 0.89 | ALOX5 (0.39) | ALOX5LMNANPSR1ROCK1TRPM8 | |
| SCHEMBL15241489 | 0.85 | ALOX5 (0.36) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL13953697 | 0.82 | ALOX5 (0.37) | HTTALOX5ROCK1TRPM8 | |
| SCHEMBL13538484 | 0.82 | ALOX5 (0.37) | ALOX5ROCK1TRPM8CYP2C19 | |
| SCHEMBL15436412 | 0.81 | ALOX5 (0.36) | ALOX5ROCK1TRPM8CYP3A4CYP2C9 | |
| SCHEMBL15436343 | 0.80 | ALOX5 (0.36) | ALOX5KCNH2ROCK1TRPM8CYP3A4 | |
| SCHEMBL3408772 | 0.80 | ALOX5 (0.41) | ALDH1A1MEN1KMT2AALOX5ROCK1 | |
| SCHEMBL3408769 | 0.80 | ALOX5 (0.41) | ALDH1A1MEN1KMT2AALOX5ROCK1 | |
| SCHEMBL3408775 | 0.80 | ALOX5 (0.41) | ALDH1A1MEN1KMT2AALOX5ROCK1 |
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-2291371-B1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2015-06-10 | — | — | EP | disclosed |