Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723261 | 0.84 | PTGS1 (0.48) | PTGS1PTGS2TLR8KDM4EALDH1A1 | |
| SCHEMBL3724702 | 0.83 | CTSS (0.47) | TLR8CTSSCTSKALDH1A1MAPT | |
| SCHEMBL3725441 | 0.81 | IDH2 (0.48) | PTGS1PTGS2CTSSCTSKMAPT | |
| SCHEMBL3727421 | 0.81 | CTSS (0.41) | CTSSCTSKMAPTTP53ADORA3 | |
| SCHEMBL3717581 | 0.81 | PTGS1 (0.56) | PTGS1PTGS2TLR8KDM4EALDH1A1 | |
| SCHEMBL3722094 | 0.78 | DPP4 (0.41) | CTSSCTSKKDM4EALDH1A1MAPT | |
| SCHEMBL3721126 | 0.78 | MAPT (0.67) | MAPTTP53 | |
| SCHEMBL3721250 | 0.77 | KDM4E (0.50) | KDM4EALDH1A1MAPTADORA3 | |
| SCHEMBL3718051 | 0.77 | ABL1 (0.49) | CTSKALDH1A1 | |
| SCHEMBL3717794 | 0.76 | PTGS1 (0.54) | PTGS1PTGS2 |
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 |