Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31118126 | 1.00 | TRPA1 (0.60) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL9506314 | 0.84 | TRPA1 (0.54) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL21306741 | 0.84 | TRPA1 (0.67) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL4437952 | 0.83 | TRPA1 (0.59) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL15563019 | 0.83 | TRPA1 (0.53) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL4171224 | 0.82 | TRPA1 (0.53) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL27449476 | 0.82 | TRPA1 (0.53) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL14217634 | 0.82 | TAAR1 (0.52) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL12917705 | 0.81 | CSNK1E (0.51) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL9242001 | 0.81 | TRPA1 (0.62) | TRPA1SIGMAR1TAAR1SLC6A2MAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2463268-B1 | 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds | DAIICHI SANKYO CO LTD (JP) | 2013-08-28 | — | — | EP | disclosed |