Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | IDH2 | P48735 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 4/20 | 0.38 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717583 | 0.83 | PTGS1 (0.56) | CTSSCTSKADORA3TLR8ALDH1A1 | |
| SCHEMBL3727421 | 0.83 | CTSS (0.41) | CTSSCTSKADORA3IDH2TRPV3 | |
| SCHEMBL3725441 | 0.83 | IDH2 (0.48) | CTSSCTSKTDP1ADORA3IDH2 | |
| SCHEMBL3725421 | 0.83 | DPP4 (0.50) | CTSSCTSKKIF11ADORA3LTA4H | |
| SCHEMBL3727129 | 0.83 | KDM4E (0.48) | CTSSCTSKLTA4HTRPV3ALDH1A1 | |
| SCHEMBL3727413 | 0.82 | CTSS (0.49) | CTSSCTSKKIF11ADORA3LTA4H | |
| SCHEMBL3719672 | 0.81 | KDM4E (0.55) | CTSSCTSKTRPV3ALDH1A1MAPT | |
| SCHEMBL3717919 | 0.81 | CTSS (0.47) | CTSSCTSKKIF11ADORA3LTA4H | |
| SCHEMBL3724728 | 0.81 | KDM4E (0.49) | CTSSCTSKKIF11ADORA3LTA4H | |
| SCHEMBL3722102 | 0.81 | TRPV3 (0.53) | CTSSCTSKTRPV3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |