Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2918968 | 0.80 | SIGMAR1 (0.48) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL14341044 | 0.77 | TRPA1 (0.56) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL10070242 | 0.75 | CTRB1 (0.49) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL19725385 | 0.75 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL234669 | 0.75 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL21852752 | 0.75 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL4951816 | 0.73 | TRPA1 (0.67) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL30934 | 0.72 | TRPA1 (0.77) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL7760979 | 0.71 | TRPA1 (0.65) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL19275860 | 0.71 | TRPA1 (0.50) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 |
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-8148128-B2 | Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2012-04-03 | — | — | US | disclosed |
| US-20090075329-A1 | CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2009-03-19 | — | — | US | disclosed |