Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.37 |
| ▸ | REN | P00797 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | CTRC | Q99895 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2430509 | 0.89 | CACNA1B (0.39) | CTSLCACNA1BRENCYP3A4THRB | |
| SCHEMBL2427394 | 0.85 | CYP3A4 (0.34) | CYP3A4THRBHSD17B10NAAA | |
| Hydrochloric Acid SCHEMBL2429666 | 0.85 | CYP3A4 (0.36) | CYP3A4THRBHSD17B10NAAA | |
| SCHEMBL4294862 | 0.83 | ACE (0.40) | CTSLCACNA1BRENCYP3A4THRB | |
| SCHEMBL2426240 | 0.81 | KLK5 (0.40) | CTSLCACNA1BRENCYP3A4THRB | |
| SCHEMBL3305393 | 0.79 | CHRM3 (0.35) | NAAAKLK7 | |
| SCHEMBL4307660 | 0.72 | CACNA1B (0.40) | CTSLCACNA1BRENCTSBCTSS | |
| SCHEMBL2426349 | 0.71 | NAAA (0.38) | CTSBCTSSCTSKNAAA | |
| SCHEMBL2430508 | 0.70 | CACNA1B (0.41) | CTSLCACNA1BRENCYP3A4THRB | |
| SCHEMBL8228152 | 0.68 | CYP3A4 (0.38) | CYP3A4THRBHSD17B10NAAA |
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-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |