Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.40 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.40 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.40 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.40 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.40 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.40 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.40 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723210 | 0.85 | ADORA2B (0.41) | — | |
| SCHEMBL3724702 | 0.81 | CTSS (0.47) | — | |
| SCHEMBL3721092 | 0.81 | SCN9A (0.50) | IDH1MAPK14KCNH3 | |
| SCHEMBL3722102 | 0.80 | TRPV3 (0.53) | — | |
| SCHEMBL3727421 | 0.78 | CTSS (0.41) | FAAH | |
| SCHEMBL3721028 | 0.78 | ADORA1 (0.48) | MAPK14 | |
| SCHEMBL7028475 | 0.74 | LCK (0.59) | MAPK13MAPK12MAPK11MAPK14ATP1A1 | |
| SCHEMBL3717583 | 0.74 | PTGS1 (0.56) | — | |
| SCHEMBL3725441 | 0.74 | IDH2 (0.48) | IDH1 | |
| SCHEMBL3725421 | 0.73 | DPP4 (0.50) | — |
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-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 |