Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 5/20 | 0.38 |
| ▸ | MMP9 | P14780 | 5/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | MMP3 | P08254 | 4/20 | 0.38 |
| ▸ | MMP7 | P09237 | 4/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4472062 | 0.92 | EPHX2 (0.41) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4492730 | 0.92 | TRPA1 (0.39) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2443277 | 0.91 | TRPA1 (0.42) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2443265 | 0.91 | TRPA1 (0.42) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4482914 | 0.91 | TRPA1 (0.43) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2437195 | 0.87 | MMP1 (0.40) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2437190 | 0.87 | MMP1 (0.40) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2441269 | 0.86 | TP53 (0.39) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2441268 | 0.86 | TP53 (0.39) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2443625 | 0.84 | TRPA1 (0.42) | TRPA1HDAC3HDAC4HDAC1HDAC7 |
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-8017612-B2 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2011-09-13 | — | — | US | disclosed |
| US-8017612-B2 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2011-09-13 | — | — | US | disclosed |