Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP4 | P49662 | 1/20 | 0.44 |
| ▸ | CASP5 | P51878 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717694 | 0.89 | TSHR (0.43) | ALDH1A1SMN1; SMN2MAPTCASP1CASP4 | |
| SCHEMBL3717911 | 0.86 | TSHR (0.43) | SMN1; SMN2TDP1CASP1CASP4CASP5 | |
| SCHEMBL3721797 | 0.84 | KDM4E (0.52) | ALDH1A1SMN1; SMN2MAPTTDP1CASP1 | |
| SCHEMBL3727016 | 0.84 | CASP1 (0.53) | ALDH1A1MAPTCASP1CASP4CASP5 | |
| SCHEMBL3717029 | 0.83 | SRPK1 (0.46) | ALDH1A1CASP1CASP4CASP5KDM4E | |
| SCHEMBL3797918 | 0.81 | HRH4 (0.44) | ALDH1A1SMN1; SMN2TDP1CASP1CASP4 | |
| SCHEMBL3717051 | 0.80 | KDM4E (0.54) | ALDH1A1MAPTTDP1CASP1CASP4 | |
| SCHEMBL3724664 | 0.79 | HRH4 (0.57) | ALDH1A1SMN1; SMN2MAPTKDM4EHTT | |
| SCHEMBL3721072 | 0.79 | CYP11B2 (0.46) | ALDH1A1SMN1; SMN2MAPTTDP1CASP1 | |
| SCHEMBL3721032 | 0.79 | CYP1A2 (0.44) | ALDH1A1SMN1; SMN2MAPTTDP1KDM4E |
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 |