Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8874659 | 1.00 | ACE (0.53) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL8873232 | 0.93 | ACE (0.56) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL8873239 | 0.93 | ACE (0.56) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL8873842 | 0.92 | XIAP (0.53) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL8873838 | 0.92 | XIAP (0.53) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL8874308 | 0.92 | XIAP (0.56) | ACEXIAPNPY1R | |
| SCHEMBL8873349 | 0.92 | XIAP (0.56) | ACEXIAPNPY1R | |
| SCHEMBL8874316 | 0.92 | XIAP (0.56) | ACEXIAPNPY1R | |
| SCHEMBL8873347 | 0.92 | XIAP (0.56) | ACEXIAPNPY1R | |
| SCHEMBL8875377 | 0.90 | XIAP (0.54) | ACEXIAPNPY1RMME |
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 |
|---|---|---|---|---|---|---|---|
| US-5610153-A | ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA | CIBA-GEIGY CORPORATION (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0673371-A1 | BENZAZEPINONE DERIVATIVES | Novartis AG (CH) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994013651-A1 | BENZAZEPINONE DERIVATIVES | CIBA-GEIGY AG (CH) | 1994-06-23 | — | — | WO | disclosed |