Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL3721096 | 0.85 | IDH1 (0.46) | — | |
| SCHEMBL3723208 | 0.82 | ADORA2B (0.50) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL3724702 | 0.77 | CTSS (0.47) | ADORA3TOP1MAPTTRPV3CTSS | |
| SCHEMBL3722102 | 0.77 | TRPV3 (0.53) | TRPV3CTSSCTSK | |
| SCHEMBL3727421 | 0.75 | CTSS (0.41) | ADORA3MAPTTRPV3CTSSCTSK | |
| SCHEMBL4817634 | 0.73 | TRPV1 (0.46) | — | |
| SCHEMBL4815743 | 0.73 | TRPV1 (0.46) | — | |
| SCHEMBL4819610 | 0.71 | TRPV1 (0.62) | — | |
| SCHEMBL14268177 | 0.71 | TRPV1 (0.62) | — | |
| SCHEMBL3725441 | 0.70 | IDH2 (0.48) | ADORA2AADORA3MAPTADORA1TRPV3 |
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 3 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 |
| 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 |