Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.59 |
| ▸ | KIF11 | P52732 | 6/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717850 | 0.84 | DHODH (0.74) | DHODHKIF11HDAC2AGXTPLG | |
| SCHEMBL893254 | 0.84 | DHODH (0.57) | DHODHKIF11HDAC2BACE1CES2 | |
| Hydrochloric Acid SCHEMBL3722990 | 0.83 | DHODH (0.72) | DHODHKIF11HDAC2AGXTPLG | |
| SCHEMBL377073 | 0.83 | CES2 (0.62) | CES2PTGS1LMNAGAA | |
| SCHEMBL29917363 | 0.80 | DHODH (0.71) | DHODHKIF11HDAC2P2RY14LMNA | |
| SCHEMBL177453 | 0.80 | DHODH (0.71) | DHODHKIF11HDAC2P2RY14LMNA | |
| SCHEMBL26056937 | 0.79 | DHODH (0.55) | DHODHKIF11HDAC2BACE1AGXT | |
| SCHEMBL3718059 | 0.78 | KIF11 (0.50) | DHODHKIF11HDAC2BACE1AGXT | |
| SCHEMBL29917375 | 0.78 | CA12 (0.59) | DHODHKIF11HDAC2PLGPLAU | |
| SCHEMBL21834400 | 0.78 | DHODH (0.53) | DHODHKIF11HDAC2BACE1AGXT |
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 |