Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 5/20 | 0.66 |
| ▸ | IKBKB | O14920 | 3/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.51 |
| ▸ | CHUK | O15111 | 2/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6290015 | 0.90 | HRH1 (0.54) | HRH1IKBKBROCK1CHUKLCK | |
| SCHEMBL5019001 | 0.87 | ST14 (0.48) | HRH1HRH3ST14CSNK2A1 | |
| SCHEMBL6290059 | 0.83 | HRH1 (0.59) | HRH1IKBKBROCK1CHUKLCK | |
| SCHEMBL508364 | 0.83 | CSNK2A1 (0.56) | HRH1HRH3ST14CSNK2A1 | |
| SCHEMBL6289091 | 0.82 | HRH1 (0.66) | HRH1IKBKBROCK1SLC6A2HTR2A | |
| SCHEMBL300595 | 0.82 | HRH1 (0.66) | HRH1IKBKBROCK1SLC6A2HTR2A | |
| SCHEMBL19050238 | 0.82 | HRH1 (0.66) | HRH1IKBKBROCK1SLC6A2HTR2A | |
| SCHEMBL508271 | 0.81 | CSNK2A1 (0.54) | HRH1HRH3ST14CSNK2A1 | |
| SCHEMBL507747 | 0.81 | CSNK2A1 (0.54) | HRH1HRH3ST14CSNK2A1 | |
| SCHEMBL6121373 | 0.81 | HRH1 (0.68) | HRH1IKBKBROCK1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |
| EP-1140859-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035886-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-06-22 | — | — | WO | disclosed |