Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1868663 | 1.00 | TSHR (0.57) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL3629662 | 0.93 | POLB (0.53) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL1868095 | 0.89 | GAA (0.47) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL4747066 | 0.89 | GAA (0.47) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL1860263 | 0.88 | POLB (0.52) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL1860261 | 0.88 | POLB (0.52) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL972842 | 0.87 | KDM2B (0.51) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL972843 | 0.87 | KDM2B (0.51) | TSHRALDH1A1MAPK1POLBMAPT | |
| SCHEMBL1864873 | 0.83 | POLB (0.51) | ALDH1A1MAPK1POLBMAPTKDM2B | |
| SCHEMBL12991579 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1POLBMAPTGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010488-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007117559-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |