Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | AADAT | Q8N5Z0 | 4/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2441196 | 0.95 | AADAT (0.43) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2442905 | 0.95 | TRPA1 (0.43) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2440980 | 0.92 | AADAT (0.43) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2443344 | 0.92 | AADAT (0.43) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2445534 | 0.92 | AADAT (0.42) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL12295439 | 0.92 | TRPA1 (0.40) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2440787 | 0.91 | TRPA1 (0.40) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2438046 | 0.91 | TRPA1 (0.40) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL2445142 | 0.91 | TRPA1 (0.40) | TRPA1AADATFKBP1ATP53MAPT | |
| SCHEMBL12295438 | 0.90 | TRPA1 (0.39) | TRPA1AADATFKBP1ATP53MAPT |
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 |