Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | GRK6 | P43250 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929484 | 0.91 | CCR5 (0.32) | CCR5 | |
| SCHEMBL7975088 | 0.89 | HDAC1 (0.35) | CCR5 | |
| SCHEMBL7959206 | 0.88 | POLB (0.34) | PTGS2PTGS1FFAR4CCR5PTGDR2 | |
| SCHEMBL7970423 | 0.87 | HAO1 (0.35) | CCR5 | |
| SCHEMBL7972312 | 0.86 | CCR5 (0.38) | CCR5PTGDR2 | |
| SCHEMBL7929501 | 0.84 | MCL1 (0.39) | CCR5PTGDR2 | |
| SCHEMBL7971896 | 0.84 | MCL1 (0.45) | CCR5PTGDR2 | |
| SCHEMBL7931697 | 0.83 | RXRA (0.41) | CCR5 | |
| SCHEMBL7972072 | 0.83 | KIF11 (0.37) | CCR5PTGDR2 | |
| SCHEMBL7974920 | 0.83 | BCL2L1 (0.39) | PTGDR2 |
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 |