Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 6/20 | 0.66 |
| ▸ | AGXT | P21549 | 1/20 | 0.50 |
| ▸ | CHKA | P35790 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | MELK | Q14680 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721910 | 0.85 | CHKA (0.57) | AOC3AGXTCHKAKDM4EALDH1A1 | |
| SCHEMBL3722035 | 0.84 | AOC3 (0.62) | AOC3AGXTCHKAADRA2CALDH1A1 | |
| SCHEMBL109344 | 0.83 | AGXT (0.69) | AOC3AGXTCHKAADRA2CKDM4E | |
| SCHEMBL111714 | 0.82 | GAA (0.62) | AOC3AGXTCHKAADRA2CKDM4E | |
| SCHEMBL12547524 | 0.81 | AOC3 (0.46) | AOC3AGXTADRA2C | |
| SCHEMBL12812550 | 0.80 | AOC3 (0.76) | AOC3 | |
| SCHEMBL14290769 | 0.80 | AOC3 (0.63) | AOC3CTSKCTSLMAPTCTSB | |
| SCHEMBL11359440 | 0.80 | AOC3 (1.00) | AOC3 | |
| SCHEMBL28845811 | 0.80 | ADRA2C (0.70) | AOC3AGXTJAK2ADRA2CKDM4E | |
| SCHEMBL29789664 | 0.80 | CHKA (0.56) | AOC3CHKAJAK2KDM4EALDH1A1 |
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 |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |