Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 7/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720230 | 0.83 | VCP (0.51) | VCPPTGS2PTGS1CHRNB2CHRNB4 | |
| SCHEMBL3724702 | 0.77 | CTSS (0.47) | TRPA1ALDH1A1TDP1CTSSCTSK | |
| SCHEMBL3727129 | 0.76 | KDM4E (0.48) | VCPPTGS2PTGS1KDM4EHPGD | |
| SCHEMBL894244 | 0.75 | TRPA1 (0.65) | TRPA1 | |
| SCHEMBL3718051 | 0.75 | ABL1 (0.49) | TSHRALDH1A1CTSKALOX15 | |
| SCHEMBL3726434 | 0.74 | HRH4 (0.45) | KDM4EHPGDHSD17B10L3MBTL1ALOX15 | |
| SCHEMBL3725441 | 0.74 | IDH2 (0.48) | VCPPTGS2PTGS1TDP1CTSS | |
| SCHEMBL3727421 | 0.74 | CTSS (0.41) | VCPCTSSCTSKTP53 | |
| SCHEMBL3717583 | 0.74 | PTGS1 (0.56) | PTGS2PTGS1KDM4EHPGDALDH1A1 | |
| SCHEMBL3719672 | 0.74 | KDM4E (0.55) | PTGS2PTGS1KDM4EHPGDALDH1A1 |
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 |