Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CPS1 | P31327 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL2701413 | 0.84 | CYP2D6 (0.41) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL8241491 | 0.82 | CA12 (0.45) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL31063437 | 0.82 | CA12 (0.45) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| Ammonia Solution, Strong SCHEMBL7990378 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL8807188 | 0.79 | IDO1 (0.43) | CA9CA14CYP2D6 | |
| SCHEMBL23123468 | 0.78 | PDE2A (0.53) | CYP1A2CYP1A1CYP1B1CPS1TAAR1 | |
| SCHEMBL2292153 | 0.78 | ADRA2A (0.45) | CYP1A2CYP1A1CYP1B1CPS1CYP2D6 | |
| SCHEMBL30932944 | 0.78 | PDE2A (0.53) | CYP1A2CYP1A1CYP1B1CPS1TAAR1 | |
| SCHEMBL29757910 | 0.78 | PDE2A (0.53) | CYP1A2CYP1A1CYP1B1CPS1TAAR1 | |
| SCHEMBL23123470 | 0.78 | PDE2A (0.53) | CYP1A2CYP1A1CYP1B1CPS1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105745214-B | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-105745211-B | It is used as the tricyclic imidazole compound of the inhibitor of tryptophan hydroxylase | 埃科特莱茵药品有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-105745211-A | Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase | 埃科特莱茵药品有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105745214-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2016-07-06 | — | — | CN | disclosed |