Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 6/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13613244 | 0.80 | AGTR2 (0.50) | AGTR2PREPHTR2CTACR3HTRA1 | |
| SCHEMBL13416076 | 0.77 | HTRA1 (0.44) | AGTR2PREPTACR3HTRA1HTT | |
| SCHEMBL13397456 | 0.77 | HTRA1 (0.44) | AGTR2PREPTACR3HTRA1HTT | |
| SCHEMBL994251 | 0.77 | HTRA1 (0.44) | AGTR2PREPTACR3HTRA1HTT | |
| SCHEMBL8351858 | 0.75 | AGTR2 (0.54) | AGTR2PREPHTR2CTACR3KMT2A | |
| SCHEMBL7646821 | 0.75 | AGTR2 (0.54) | AGTR2PREPHTR2CTACR3KMT2A | |
| SCHEMBL12798144 | 0.75 | AGTR2 (0.54) | AGTR2PREPHTR2CTACR3KMT2A | |
| SCHEMBL986547 | 0.74 | HTRA1 (0.45) | AGTR2PREPHTR2CTACR3HTRA1 | |
| SCHEMBL8288906 | 0.74 | HTRA1 (0.45) | AGTR2PREPHTR2CTACR3HTRA1 | |
| SCHEMBL13397479 | 0.74 | HTRA1 (0.45) | AGTR2PREPHTR2CTACR3HTRA1 |
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 |