Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 10/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721106 | 0.99 | SCN9A (0.49) | SCN9ALTA4HRPS6KB1MCHR1TLR9 | |
| SCHEMBL3724677 | 0.91 | SCN9A (0.51) | SCN9ARPS6KB1AURKAHTR2C | |
| SCHEMBL3722022 | 0.82 | LTA4H (0.49) | LTA4HRPS6KB1MCHR1TLR9ESR1 | |
| SCHEMBL3728866 | 0.81 | SCN9A (0.53) | SCN9AKDM4E | |
| SCHEMBL3721111 | 0.81 | LTA4H (0.48) | LTA4HRPS6KB1MCHR1TLR9ESR1 | |
| SCHEMBL3717002 | 0.80 | SCN9A (0.52) | SCN9AKDM4EALDH1A1HPGD | |
| SCHEMBL3717776 | 0.78 | SCN9A (0.52) | SCN9ATP53GAA | |
| SCHEMBL3721093 | 0.77 | SCN9A (0.53) | SCN9AKDM4EALDH1A1TP53GAA | |
| SCHEMBL1734132 | 0.75 | KDM4E (0.72) | SCN9AKDM4EALDH1A1TP53GAA | |
| SCHEMBL3724683 | 0.73 | BCHE (0.46) | RPS6KB1TLR9KCNH2AURKAHTR2C |
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 |