Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.63 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931174 | 0.87 | PTGS2 (0.62) | PTGS2MTNR1AMTNR1BTLR8 | |
| SCHEMBL423421 | 0.80 | PTGS2 (0.66) | PTGS2MTNR1AMTNR1B | |
| SCHEMBL20714921 | 0.77 | PTGS2 (0.59) | PTGS2TLR8 | |
| SCHEMBL8672850 | 0.76 | PTGS2 (0.59) | PTGS2TLR8 | |
| Water SCHEMBL11131807 | 0.75 | PTGS2 (0.60) | PTGS2MTNR1AMTNR1BTLR8 | |
| SCHEMBL17038481 | 0.75 | PTGS2 (0.60) | PTGS2 | |
| SCHEMBL13659627 | 0.75 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL21101966 | 0.75 | PTGS2 (0.65) | PTGS2MTNR1AMTNR1B | |
| SCHEMBL6535129 | 0.74 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL5316867 | 0.73 | PTGS2 (0.66) | PTGS2MTNR1AMTNR1B |
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 2 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 |
| 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 |