Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.57 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.56 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.51 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721909 | 0.86 | ALDH1A1 (0.53) | TP53BP1PARP1TNKSPARP14FAAH | |
| SCHEMBL1397689 | 0.85 | ADRA2C (0.62) | TP53BP1PARP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL30760618 | 0.85 | ADRA2C (0.62) | TP53BP1PARP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3722032 | 0.84 | KMO (0.58) | AOC3PARP1TNKSPARP14FAAH | |
| Hydrochloric Acid SCHEMBL16209753 | 0.84 | ADRA2C (0.60) | CHEK1TP53BP1PARP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL30760605 | 0.84 | ADRA2C (0.60) | CHEK1TP53BP1PARP1KDM4EALDH1A1 | |
| SCHEMBL1081001 | 0.84 | PRKD1 (0.73) | CHEK1MAP4K1PRKD1 | |
| SCHEMBL2385778 | 0.82 | TP53BP1 (0.57) | CHEK1TP53BP1MAP4K1HRH4 | |
| SCHEMBL30881162 | 0.81 | MET (0.55) | AOC3TNKSKDM4EALDH1A1HSD17B10 | |
| SCHEMBL1397464 | 0.80 | CHEK1 (0.69) | CHEK1KDM4EALDH1A1HSD17B10NPC1 |
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 |