Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11131147 | 0.81 | CHRNA7 (0.35) | CYP2D6CHRM1KCNH2ALDH1A1KDM4E | |
| SCHEMBL4711813 | 0.77 | — | — | |
| SCHEMBL2543887 | 0.77 | — | — | |
| SCHEMBL26756602 | 0.76 | CHRM2 (0.33) | CYP1A2TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL2547791 | 0.75 | FDPS (0.41) | ALDH1A1 | |
| SCHEMBL22230547 | 0.73 | CHRM2 (0.34) | CYP1A2TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL18724744 | 0.73 | MC4R (0.38) | CYP1A2TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL5792071 | 0.71 | MAPT (0.39) | ALDH1A1KDM4ECA12CA9 | |
| SCHEMBL4161986 | 0.71 | CHRM2 (0.33) | CYP1A2TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL28787388 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015097123-A1 | NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2015-07-02 | — | — | WO | disclosed |
| EP-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |