Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 11/20 | 0.52 |
| ▸ | ACHE | P22303 | 11/20 | 0.52 |
| ▸ | EP300 | Q09472 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | RXRA | P19793 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | RAD52 | P43351 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL298574 | 0.90 | BCHE (0.62) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513581 | 0.80 | BCHE (0.63) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513580 | 0.78 | BCHE (0.63) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL26312242 | 0.77 | BCHE (0.59) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL12582077 | 0.77 | BCHE (0.80) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513579 | 0.76 | BCHE (0.60) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513586 | 0.74 | BCHE (0.58) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513588 | 0.74 | BCHE (0.58) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL298971 | 0.73 | P2RX7 (0.55) | BCHEACHEEP300ALDH1A1LMNA | |
| SCHEMBL14513583 | 0.73 | BCHE (0.57) | BCHEACHEEP300ALDH1A1LMNA |
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-2427460-B1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-26 | — | — | EP | disclosed |