Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8661783 | 0.94 | GLA (0.31) | — | |
| SCHEMBL8661335 | 0.90 | CYP1A2 (0.35) | CYP1A2MAPK1SMN1; SMN2MAOB | |
| SCHEMBL8654817 | 0.90 | HDAC1 (0.33) | SMN1; SMN2CHRM2ADRA2BHRH1 | |
| SCHEMBL8661601 | 0.89 | HRH3 (0.31) | — | |
| SCHEMBL8655169 | 0.86 | MAOB (0.35) | CYP1A2MAPK1SMN1; SMN2MAOB | |
| SCHEMBL8659057 | 0.85 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL8655420 | 0.85 | S1PR5 (0.37) | CYP1A2MAPK1SMN1; SMN2S1PR5CHRM1 | |
| SCHEMBL8657293 | 0.85 | ITGB3 (0.34) | CYP1A2MAPK1SMN1; SMN2S1PR5CHRM1 | |
| SCHEMBL7309143 | 0.83 | CYP1A2 (0.32) | CYP1A2MAPK1SMN1; SMN2S1PR5CHRM1 | |
| SCHEMBL8659172 | 0.83 | S1PR5 (0.34) | CYP1A2MAPK1SMN1; SMN2S1PR5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |