Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.53 |
| ▸ | CCR3 | P51677 | 7/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6056769 | 0.88 | OPRM1 (0.53) | OPRM1CCR3SLC6A2SLC6A3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL6056668 | 0.85 | CCR3 (0.55) | OPRM1CCR3SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL6056677 | 0.85 | OPRM1 (0.47) | OPRM1CCR3SLC6A2SLC6A3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL6056751 | 0.83 | OPRM1 (0.56) | OPRM1CCR3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL6056796 | 0.82 | OPRM1 (0.50) | OPRM1CCR3SLC6A2SLC6A3SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL6056693 | 0.81 | OPRM1 (0.56) | OPRM1CCR3SLC6A2SLC6A3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL6056828 | 0.81 | KCNH2 (0.54) | OPRM1CCR3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL4775520 | 0.80 | GAA (0.57) | OPRM1CCR3SIGMAR1HRH3 | |
| Trifluoroacetic Acid SCHEMBL6056789 | 0.80 | CCR3 (0.59) | OPRM1CCR3SLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL6056707 | 0.79 | OPRM1 (0.52) | OPRM1CCR3SLC6A2SLC6A3SIGMAR1 |
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-1219605-B1 | UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-05-10 | — | — | EP | disclosed |
| US-6787650-B1 | CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-07 | — | — | US | disclosed |
| EP-1219605-A1 | UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-07-03 | — | — | EP | disclosed |