Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Propylene Oxide SCHEMBL11338455 | 0.86 | CA12 (0.35) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL22490986 | 0.83 | PDK1 (0.40) | KDM1ACA12PDK1SMN1; SMN2HRH3 | |
| SCHEMBL10584489 | 0.81 | CHRM2 (0.38) | CA12PDK1CA1CA2CA9 | |
| SCHEMBL4919132 | 0.81 | CHRM2 (0.38) | CA12PDK1CA1CA2CA9 | |
| SCHEMBL16095467 | 0.81 | CHRM2 (0.38) | CA12PDK1CA1CA2CA9 | |
| SCHEMBL4384047 | 0.81 | CHRM2 (0.38) | CA12PDK1CA1CA2CA9 | |
| SCHEMBL93426 | 0.78 | — | — | |
| SCHEMBL2304380 | 0.78 | — | — | |
| SCHEMBL2306507 | 0.78 | — | — | |
| SCHEMBL24525605 | 0.78 | SMN1; SMN2 (0.43) | CA12CA1CA2CA9SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-3293245-A2 | REACTIVE MESOGEN AND LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2018-03-14 | — | — | EP | disclosed |