Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 7/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | IL1B | P01584 | 2/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL3724702 | 0.83 | CTSS (0.47) | IDH2CTSSCTSKTRPV3MAPT | |
| SCHEMBL3727421 | 0.83 | CTSS (0.41) | IDH2CTSSCTSKTRPV3MAPT | |
| SCHEMBL3725438 | 0.82 | SCN9A (0.47) | IDH2IDH1ADORA3VCP | |
| SCHEMBL3717583 | 0.81 | PTGS1 (0.56) | CTSSCTSKMAPTTP53ADORA3 | |
| SCHEMBL3725421 | 0.76 | DPP4 (0.50) | CTSSCTSKTRPV3ADORA3 | |
| SCHEMBL3722102 | 0.76 | TRPV3 (0.53) | CTSSCTSKTRPV3 | |
| SCHEMBL3727129 | 0.76 | KDM4E (0.48) | CTSSCTSKTRPV3MAPTVCP | |
| SCHEMBL3721126 | 0.76 | MAPT (0.67) | MAPTTP53 | |
| SCHEMBL3727413 | 0.75 | CTSS (0.49) | CTSSCTSKTRPV3ADORA3 | |
| SCHEMBL3718626 | 0.75 | KDM4E (0.61) | MAPTTP53VCP |
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 |