Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 14/20 | 0.74 |
| ▸ | ROCK2 | O75116 | 13/20 | 0.74 |
| ▸ | PRKACA | P17612 | 2/20 | 0.74 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.74 |
| ▸ | PRKX | P51817 | 2/20 | 0.74 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.74 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.74 |
| ▸ | SGK2 | Q9HBY8 | 2/20 | 0.74 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.74 |
| ▸ | AURKA | O14965 | 1/20 | 0.68 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.68 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.68 |
| ▸ | PRKCG | P05129 | 1/20 | 0.68 |
| ▸ | MARK3 | P27448 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | AKT1 | P31749 | 1/20 | 0.68 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.68 |
| ▸ | CLK2 | P49760 | 1/20 | 0.68 |
| ▸ | GSK3A | P49840 | 1/20 | 0.68 |
| ▸ | GSK3B | P49841 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL5445973 | 0.91 | ROCK2 (0.61) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL12059650 | 0.87 | ROCK2 (0.79) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL5643084 | 0.85 | ROCK2 (1.00) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL13122212 | 0.82 | HDAC1 (0.54) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL5444243 | 0.82 | MTOR (0.60) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL5412689 | 0.82 | MAOB (0.67) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL5658162 | 0.79 | IMPDH2 (0.73) | ROCK2MTORNAMPTPRMT3 | |
| SCHEMBL5659561 | 0.79 | NAMPT (0.70) | ROCK2MTORNAMPTPRMT3 | |
| SCHEMBL5640543 | 0.78 | ROCK1 (0.82) | ROCK1ROCK2PRKACARPS6KB1PRKX | |
| SCHEMBL5445612 | 0.78 | TDO2 (0.62) | CLK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070078156-A1 | Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain | MERCK SHARP & DOHME LTD. (GB) | 2007-04-05 | — | — | US | claimed |
| US-20070078156-A1 | Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain | MERCK SHARP & DOHME LTD. (GB) | 2007-04-05 | — | — | US | disclosed |
| EP-1675587-A2 | DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005028445-A2 | DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-03-31 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070078156-A1 | Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain | CNR1, OPRL1, SIGMAR1 | ROCK1 3728/4885ROCK2 4514/4885PRKACA 2710/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.