Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | TK1 | P04183 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7552194 | 0.85 | KIF11 (0.36) | KCNH2OPRM1OPRD1MRGPRX2CHRM3 | |
| SCHEMBL21401129 | 0.82 | KCNH2 (0.38) | KCNH2OPRM1OPRD1MRGPRX2CHRM3 | |
| SCHEMBL4972971 | 0.77 | KCNH2 (0.44) | KCNH2OPRM1OPRD1MRGPRX2CHRM3 | |
| SCHEMBL21742096 | 0.75 | SMN1; SMN2 (0.40) | KCNH2CHRM3OPRK1LMNACYP2D6 | |
| SCHEMBL7053535 | 0.74 | KCNN4 (0.43) | LMNACYP2D6CYP3A4KCNN4MAPK1 | |
| SCHEMBL24592645 | 0.71 | KCNN4 (0.40) | CHRM3LMNACYP2D6CYP3A4KCNN4 | |
| SCHEMBL5962153 | 0.71 | KCNN4 (0.40) | CHRM3LMNACYP2D6CYP3A4KCNN4 | |
| SCHEMBL9194628 | 0.71 | KCNN4 (0.40) | CHRM3LMNACYP2D6CYP3A4KCNN4 | |
| SCHEMBL10798685 | 0.71 | LMNA (0.40) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL379267 | 0.70 | KCNN4 (0.43) | LMNACYP2D6CYP3A4KCNN4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103201251-B | By the method for benzylamine compound initial preparation 2,2-difluoroethylamine | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-12-02 | — | — | CN | disclosed |