Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26462643 | 0.86 | HRH3 (0.46) | HRH3SIGMAR1CYP1A2CHRM2CHRM1 | |
| SCHEMBL23828672 | 0.80 | HRH3 (0.81) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL433324 | 0.80 | HRH3 (0.81) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL13962337 | 0.80 | HRH3 (0.81) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL4519052 | 0.80 | HRH3 (0.81) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL3065336 | 0.78 | KEAP1 (0.52) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL7944302 | 0.77 | HRH3 (0.77) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL691481 | 0.77 | TP53 (0.48) | MAPK1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL3439938 | 0.77 | HRH3 (0.75) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL17525461 | 0.74 | HRH3 (0.71) | HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2 |
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-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |