Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 8/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.48 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | PREP | P48147 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12494238 | 1.00 | FKBP1A (0.53) | FKBP1AKLK5ALDH1A1CYP3A4TSHR | |
| SCHEMBL12494239 | 1.00 | FKBP1A (0.53) | FKBP1AKLK5ALDH1A1CYP3A4TSHR | |
| SCHEMBL19217464 | 0.94 | KLK5 (0.58) | FKBP1AKLK5ALDH1A1CYP3A4TSHR | |
| SCHEMBL12493357 | 0.93 | ACE (0.56) | FKBP1ASYKCTSLACECMA1 | |
| SCHEMBL12105494 | 0.90 | FKBP1A (0.55) | FKBP1AKLK5ALDH1A1CYP3A4TSHR | |
| SCHEMBL1300212 | 0.87 | ACE (0.61) | KLK5SYKCTSLACECMA1 | |
| SCHEMBL1300209 | 0.87 | ACE (0.61) | KLK5SYKCTSLACECMA1 | |
| SCHEMBL31649419 | 0.86 | SYK (0.54) | FKBP1ASYKCTSLACECMA1 | |
| SCHEMBL28948425 | 0.84 | ACE (0.49) | FKBP1AKLK5ALDH1A1CYP3A4TSHR | |
| SCHEMBL31473142 | 0.84 | ALDH1A1 (0.58) | FKBP1AKLK5ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012125622-A1 | SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-20 | — | — | WO | disclosed |