Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD51 | Q06609 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013065 | 0.85 | ALDH1A1 (0.42) | LMNAKIF11TP53KDM4EALDH1A1 | |
| SCHEMBL1844483 | 0.83 | RAD51 (0.51) | RAD51ADORA3CTSSCTSKTOP1 | |
| SCHEMBL16804872 | 0.83 | RAD51 (0.47) | RAD51ADORA3CTSSCTSKTOP1 | |
| SCHEMBL28879162 | 0.83 | ADORA3 (0.52) | RAD51ADORA3CTSSCTSKTOP1 | |
| SCHEMBL4619849 | 0.83 | ALDH1A1 (0.46) | RAD51ADORA3CTSSCTSKTOP1 | |
| SCHEMBL600729 | 0.81 | RAD51 (0.44) | RAD51ADORA3TP53KDM4EALDH1A1 | |
| SCHEMBL2848055 | 0.81 | RAD51 (0.48) | RAD51ADORA3CTSSCTSKTOP1 | |
| SCHEMBL4748830 | 0.80 | MAPT (0.55) | ADORA3LMNATP53KDM4EALDH1A1 | |
| SCHEMBL1643582 | 0.80 | KDM4E (0.62) | TOP1CASP1THRBKIF11KDM4E | |
| SCHEMBL7873581 | 0.80 | KDM4E (0.49) | RAD51ADORA3CTSSCTSKTOP1 |
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-7442701-B2 | Amino-heterocycles as VR-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1562934-B1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME (GB) | 2008-03-26 | — | — | EP | disclosed |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-02-23 | — | — | US | 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-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | OPRL1, CNR1, GPR6 | RAD51 889/4885ADORA3 285/4885CTSS 4539/4885 |
“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.