Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.60 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | CMA1 | P23946 | 4/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 3/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7393230 | 1.00 | ACE (0.60) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL7356850 | 0.97 | ACE (0.57) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL10378309 | 0.97 | ACE (0.57) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL7269454 | 0.92 | KLK5 (0.61) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL8647455 | 0.92 | KLK5 (0.61) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL8647459 | 0.92 | KLK5 (0.61) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL7329010 | 0.89 | ADORA3 (0.58) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL8648992 | 0.89 | ADORA3 (0.58) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL8648996 | 0.89 | ADORA3 (0.58) | ACEKLK5ATMCMA1ADORA3 | |
| SCHEMBL5916350 | 0.84 | ACE (0.72) | ACEKLK5ATMCMA1 |
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-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | disclosed |
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |