Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | CMA1 | P23946 | 5/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | PREP | P48147 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105494 | 0.96 | FKBP1A (0.55) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL12494481 | 0.94 | FKBP1A (0.53) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL12494239 | 0.94 | FKBP1A (0.53) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL12494238 | 0.94 | FKBP1A (0.53) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL1300212 | 0.93 | ACE (0.61) | KLK5ACECMA1ITGB3ITGA2B | |
| SCHEMBL1300209 | 0.93 | ACE (0.61) | KLK5ACECMA1ITGB3ITGA2B | |
| SCHEMBL28948425 | 0.90 | ACE (0.49) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL7321814 | 0.89 | ITGB3 (0.65) | KLK5ALDH1A1CYP3A4TSHRACE | |
| SCHEMBL12493357 | 0.87 | ACE (0.56) | ACECMA1ITGB3ITGA2BCTSL | |
| SCHEMBL7325125 | 0.86 | ITGB3 (0.62) | KLK5ALDH1A1CYP3A4TSHRACE |
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-2491041-B1 | BIVALENT DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF | UNIV MICHIGAN REGENTS (US) | 2017-08-09 | — | — | EP | disclosed |