Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 7/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29345090 | 0.88 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL2526553 | 0.84 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL2523332 | 0.84 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL31404503 | 0.84 | CYP1A2 (0.44) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL31340378 | 0.84 | CYP1A2 (0.44) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL24272403 | 0.84 | CYP1A2 (0.44) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL12213289 | 0.84 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL15056773 | 0.83 | NR1H2 (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL15057262 | 0.83 | NR1H2 (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL7805554 | 0.83 | NR1H2 (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010063662-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | WO | disclosed |