Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29223121 | 0.91 | PTGS2 (0.46) | KDM4EALDH1A1HSD17B10HDAC7 | |
| SCHEMBL8767651 | 0.83 | TYR (0.60) | TYRLMNAESR1MAPTKMT2A | |
| SCHEMBL584940 | 0.82 | ALDH1A1 (0.55) | TYRPOLBAKR1C3LMNAMAPT | |
| SCHEMBL8927063 | 0.82 | CSNK2A1 (0.43) | CSNK2A1POLBAKR1C3LMNAKMT2A | |
| SCHEMBL28619311 | 0.82 | POLB (0.51) | POLBAKR1C3MAPTKMT2AKDM4E | |
| SCHEMBL453469 | 0.82 | ALDH1A1 (0.47) | TYRPOLBCHRM1LMNAMAPT | |
| SCHEMBL7782911 | 0.81 | TYR (0.45) | CSNK2A1TYRMAPTKMT2AKDM4E | |
| SCHEMBL6644184 | 0.80 | CSNK2A1 (0.52) | CSNK2A1CHRM1LMNAADRA1AKMT2A | |
| SCHEMBL24019777 | 0.79 | CSNK2A1 (0.50) | CSNK2A1POLBAKR1C3CHRM1LMNA | |
| SCHEMBL10719573 | 0.78 | MCL1 (0.46) | TYRLMNAKMT2AKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1012166-A1 | 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS | Protherics Molecular Design Limited (GB) | 2000-06-28 | — | — | EP | disclosed |
| WO-1999011657-A1 | 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS | PROTEUS MOLECULAR DESIGN LTD. (GB) | 1999-03-11 | — | — | WO | disclosed |