Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6375570 | 0.89 | BCHE (0.61) | BCHEKMT2AKDM4CADRB2ADRB1 | |
| SCHEMBL9411108 | 0.89 | BCHE (0.64) | BCHEKMT2AKDM4CKDM4EMAPT | |
| SCHEMBL12634231 | 0.88 | ADRB2 (0.49) | BCHEADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL4250735 | 0.83 | BCHE (0.58) | BCHEKMT2AKDM4CKDM4EMAPT | |
| SCHEMBL4247469 | 0.83 | BCHE (0.58) | BCHEKMT2AKDM4CKDM4EMAPT | |
| SCHEMBL4247485 | 0.83 | BCHE (0.58) | BCHEKMT2AKDM4CKDM4EMAPT | |
| SCHEMBL26368493 | 0.83 | BCHE (0.60) | BCHEKMT2AKDM4CKDM4EMAPT | |
| SCHEMBL31358960 | 0.83 | BCHE (0.60) | BCHEKMT2AKDM4CKDM4EMAPT | |
| Bromide SCHEMBL6183225 | 0.82 | BCHE (0.57) | BCHEKMT2AKDM4CKDM4EMAPT | |
| Bromide SCHEMBL6181180 | 0.82 | BCHE (0.57) | BCHEKMT2AKDM4CKDM4EMAPT |
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-2011075957-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | 沈阳药科大学 (CN) | 2011-06-30 | — | — | WO | disclosed |