Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.48 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14161712 | 0.93 | MAP4K4 (0.47) | ROCK2ROCK1CDC42BPACDC42BPBCHRM2 | |
| SCHEMBL19035556 | 0.91 | HRH3 (0.51) | ROCK2ROCK1CDC42BPACDC42BPBCHRM2 | |
| SCHEMBL19035709 | 0.79 | CHRM2 (0.49) | CHRM2CHRM4 | |
| SCHEMBL30785422 | 0.79 | SORD (0.50) | — | |
| SCHEMBL2320514 | 0.79 | SORD (0.50) | — | |
| SCHEMBL468382 | 0.79 | SORD (0.50) | — | |
| SCHEMBL12245067 | 0.78 | HRH3 (0.54) | CHRM2CHRM4HRH3 | |
| SCHEMBL12245058 | 0.78 | HRH3 (0.54) | CHRM2CHRM4HRH3 | |
| SCHEMBL23498149 | 0.77 | KMT2A (0.48) | ROCK2ROCK1CDC42BPACDC42BPBKMT2A | |
| SCHEMBL14177933 | 0.77 | CYP11B2 (0.49) | KMT2ACYP11B2POLBATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817302-A4 | PIPERIDINYL PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1817302-A2 | PIPERIDINYL PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057921-A2 | PIPERIDINYL PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-01 | — | — | WO | disclosed |