Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 14/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.35 |
| ▸ | PGC | P20142 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSE | P14091 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8458003 | 0.86 | REN (0.42) | AAK1CTSSCTSKRENCACNA1B | |
| SCHEMBL8462263 | 0.84 | KLK5 (0.41) | CTSSCTSK | |
| SCHEMBL8459146 | 0.81 | REN (0.40) | AAK1CTSSCTSKRENCYP3A4 | |
| SCHEMBL8852989 | 0.81 | REN (0.40) | AAK1CTSSCTSKRENCYP3A4 | |
| SCHEMBL10777312 | 0.74 | CTSS (0.46) | AAK1CTSSCTSKRENCYP3A4 | |
| SCHEMBL7274874 | 0.74 | CTSS (0.46) | AAK1CTSSCTSKRENCYP3A4 | |
| SCHEMBL10772696 | 0.73 | ATM (0.49) | RENCYP3A4 | |
| SCHEMBL8458897 | 0.73 | REN (0.45) | RENCACNA1B | |
| SCHEMBL8853149 | 0.73 | REN (0.45) | RENCACNA1B | |
| SCHEMBL10777836 | 0.73 | CTSS (0.44) | AAK1CTSSCTSKRENCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5935976-A | Antiviral ethers of aspartate protease substrate isosteres | NOVARTIS CORPORATION (US) | 1999-08-10 | — | — | US | disclosed |