Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTRA1 | Q92743 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13613244 | 0.82 | AGTR2 (0.50) | HTRA1AGTR2TACR3HTR2CPREP | |
| SCHEMBL13910588 | 0.78 | TACR3 (0.47) | AGTR2TACR3HTR2CHTTPREP | |
| SCHEMBL8288906 | 0.77 | HTRA1 (0.45) | HTRA1AGTR2TACR3HTR2CHTT | |
| SCHEMBL13397479 | 0.77 | HTRA1 (0.45) | HTRA1AGTR2TACR3HTR2CHTT | |
| SCHEMBL986547 | 0.77 | HTRA1 (0.45) | HTRA1AGTR2TACR3HTR2CHTT | |
| SCHEMBL994571 | 0.77 | HTRA1 (0.44) | HTRA1AGTR2TACR3HTR2CHTT | |
| SCHEMBL13397456 | 0.77 | HTRA1 (0.44) | HTRA1AGTR2TACR3HTTPREP | |
| SCHEMBL994251 | 0.77 | HTRA1 (0.44) | HTRA1AGTR2TACR3HTTPREP | |
| SCHEMBL13416076 | 0.77 | HTRA1 (0.44) | HTRA1AGTR2TACR3HTTPREP | |
| SCHEMBL7646821 | 0.76 | AGTR2 (0.54) | AGTR2TACR3HTR2CPREPNPC1 |
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-2270004-A1 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-01-05 | — | — | EP | disclosed |