Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL893254 | 0.83 | DHODH (0.57) | KIF11DHODHBACE1CES2HDAC2 | |
| SCHEMBL15630195 | 0.82 | CES2 (0.62) | CES2MEN1KMT2A | |
| SCHEMBL23268280 | 0.82 | PRSS1 (0.54) | PRSS1PRSS2PRSS3RXRARXRB | |
| SCHEMBL16902370 | 0.80 | PRSS1 (0.60) | DHODHPRSS1PRSS2PRSS3MEN1 | |
| SCHEMBL13754825 | 0.80 | PRSS1 (0.64) | DHODHPRSS1PRSS2PRSS3 | |
| SCHEMBL3726477 | 0.78 | DHODH (0.59) | KIF11DHODHBACE1AGXTCES2 | |
| SCHEMBL16902385 | 0.78 | PRSS1 (0.62) | DHODHPRSS1PRSS2PRSS3MEN1 | |
| SCHEMBL26081554 | 0.78 | PRSS1 (0.62) | DHODHPRSS1PRSS2PRSS3MEN1 | |
| SCHEMBL177453 | 0.78 | DHODH (0.71) | KIF11DHODHHDAC2RXRARXRB | |
| SCHEMBL29917363 | 0.78 | DHODH (0.71) | KIF11DHODHHDAC2RXRARXRB |
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 2 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 | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |