Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 13/20 | 0.46 |
| ▸ | CNR2 | P34972 | 7/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL213838 | 0.88 | TRPV1 (0.52) | TRPV1CNR1CNR2HDAC4HDAC6 | |
| SCHEMBL213558 | 0.86 | CNR1 (0.55) | TRPV1CNR1CNR2 | |
| SCHEMBL212640 | 0.85 | CNR1 (0.51) | TRPV1CNR1CNR2HDAC4HDAC6 | |
| SCHEMBL212661 | 0.84 | CNR1 (0.61) | CNR1CNR2 | |
| SCHEMBL215181 | 0.82 | CNR1 (0.56) | TRPV1CNR1CNR2 | |
| SCHEMBL216677 | 0.77 | PIN1 (0.45) | NPC1RAB9A | |
| SCHEMBL214841 | 0.76 | CNR1 (0.40) | CNR1CNR2ATM | |
| SCHEMBL216312 | 0.75 | SLC6A3 (0.42) | CNR1CNR2 | |
| SCHEMBL214132 | 0.74 | CNR1 (0.51) | TRPV1CNR1CNR2HDAC4HDAC6 | |
| SCHEMBL211995 | 0.74 | CNR1 (0.56) | TRPV1CNR1CNR2HDAC4HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8088920-B2 | 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents | HOFFMANN-LA ROCHE INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2271632-A1 | 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F. Hoffmann-La Roche AG (CH) | 2011-01-12 | — | — | EP | disclosed |