Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4554579 | 0.92 | AGTR1 (0.32) | ROCK2 | |
| SCHEMBL4554039 | 0.90 | AGTR1 (0.36) | — | |
| SCHEMBL4554384 | 0.73 | PDCD1 (0.30) | PDCD1CD274 | |
| SCHEMBL840643 | 0.72 | AGTR1 (0.37) | — | |
| SCHEMBL4436864 | 0.71 | MKNK1 (0.47) | — | |
| SCHEMBL14544727 | 0.71 | AGTR1 (0.41) | — | |
| SCHEMBL8293716 | 0.71 | RAB9A (0.41) | — | |
| SCHEMBL9389770 | 0.70 | MAPT (0.54) | — | |
| SCHEMBL8698313 | 0.70 | CD274 (0.39) | PDCD1CD274 | |
| SCHEMBL2970915 | 0.70 | AGTR1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132187-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008097459-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2008-08-14 | — | — | WO | disclosed |