Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL7975087 | 0.94 | PTGS2 (0.37) | ALDH1A1PTGS2HTR7PTGDR2SOAT1 | |
| SCHEMBL7929432 | 0.92 | PTGDR2 (0.32) | PTGDR2CCR5ALOX5APFEN1 | |
| SCHEMBL7972215 | 0.89 | PTGS2 (0.34) | ALDH1A1PTGS2HTR7HTT | |
| SCHEMBL7970426 | 0.86 | GRIA2 (0.34) | ALDH1A1PTGDR2ALOX5APFEN1 | |
| SCHEMBL7972310 | 0.84 | PTGS2 (0.37) | ALDH1A1PTGS2HTR7SOAT1 | |
| SCHEMBL7929484 | 0.83 | CCR5 (0.32) | CCR5 | |
| SCHEMBL7959207 | 0.81 | ALDH1A1 (0.34) | ALDH1A1PTGDR2ALOX5APFEN1 | |
| SCHEMBL7972077 | 0.80 | ALOX5AP (0.35) | PTGDR2CCR5ALOX5APFEN1 | |
| SCHEMBL7975088 | 0.77 | HDAC1 (0.35) | CCR5 | |
| SCHEMBL7971896 | 0.76 | MCL1 (0.45) | ALDH1A1PTGDR2CCR5 |
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-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |