Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL616184 | 0.84 | MAPT (0.43) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212509 | 0.83 | LMNA (0.41) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212478 | 0.83 | CHRM2 (0.37) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212500 | 0.80 | MAPT (0.37) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19251106 | 0.80 | MAPT (0.38) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212489 | 0.79 | CHRM3 (0.60) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212493 | 0.79 | CHRM3 (0.60) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL4878628 | 0.78 | CHRM2 (0.40) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL19212486 | 0.77 | GAA (0.44) | MAPTNPC1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL7320028 | 0.70 | HRH1 (0.50) | HRH1HTR2ASIGMAR1ALDH1A1 |
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-2017137955-A1 | NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL | CELESTIS PHARMACEUTICALS PVT. LTD. (IN) | 2017-08-17 | — | — | WO | disclosed |