Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | CPA3 | P15088 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7104035 | 0.86 | EPHX2 (0.53) | CES2CES1 | |
| SCHEMBL28180885 | 0.85 | TPMT (0.42) | SLC15A1POLBMDM2CES2CES1 | |
| SCHEMBL8919717 | 0.85 | CYP1A2 (0.50) | CYP1A2SLC15A1TRPA1NPC1RAB9A | |
| SCHEMBL8380411 | 0.85 | CYP1A2 (0.50) | CYP1A2SLC15A1TRPA1NPC1RAB9A | |
| SCHEMBL109575 | 0.85 | CYP1A2 (0.50) | CYP1A2SLC15A1TRPA1NPC1RAB9A | |
| SCHEMBL2148366 | 0.84 | SLC6A2 (0.49) | SLC7A5 | |
| SCHEMBL476969 | 0.83 | KEAP1 (0.61) | CYP1A2SLC15A1TRPA1ALPIPKM | |
| SCHEMBL12950490 | 0.82 | ALDH1A1 (0.47) | CYP1A2TRPA1KEAP1 | |
| Butyric Acid SCHEMBL10490423 | 0.82 | CPA3 (0.53) | CYP1A2SLC15A1TRPA1ALPIPKM | |
| SCHEMBL2565008 | 0.81 | CYP1A2 (0.52) | CYP1A2SLC15A1NPC1RAB9AALPI |
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 |
|---|---|---|---|---|---|---|---|
| EP-2872642-A1 | PROCESS FOR USING TOBACCO | Kind Consumer Limited (GB) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009749-A1 | PROCESS FOR USING TOBACCO | KIND CONSUMER LIMITED (GB) | 2014-01-16 | — | — | WO | disclosed |
| WO-2012068310-A2 | COMPOSITIONS AND METHODS FOR IMPROVED SACCHARIFICATION OF GENETICALLY MODIFIED PLANT-DERIVED BIOMASS | QTEROS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| WO-2000023608-A1 | PREPARATION OF AMINO ALCOHOLS | DSM BIOTECH GMBH (DE) | 2000-04-27 | — | — | WO | disclosed |