Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | RAC1 | P63000 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13070517 | 0.87 | BCHE (0.44) | BCHEGSK3BCDK5CDK5R1CYP1B1 | |
| SCHEMBL297348 | 0.85 | BCHE (0.66) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL13070794 | 0.78 | BCHE (0.72) | BCHEGSK3BCDK5CDK5R1CYP1B1 | |
| SCHEMBL31472746 | 0.78 | BCHE (0.65) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL31472748 | 0.78 | BCHE (0.65) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL31472747 | 0.78 | BCHE (0.65) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL18037460 | 0.73 | BCHE (0.62) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL18037452 | 0.73 | BCHE (0.61) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL18037465 | 0.72 | BCHE (0.57) | BCHECYP1B1ACHECYP1A2DRD1 | |
| SCHEMBL299042 | 0.72 | BCHE (0.63) | BCHECYP1B1ACHECYP1A2DRD1 |
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-2427460-B1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-26 | — | — | EP | disclosed |
| WO-2010128061-A1 | NOVEL ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |