Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15345016 | 0.83 | SMN1; SMN2 (0.54) | ROCK1LMNASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL28557365 | 0.80 | GAA (0.51) | LMNASMN1; SMN2KMT2AMAPTMAPK1 | |
| SCHEMBL29962872 | 0.80 | GAA (0.51) | LMNASMN1; SMN2KMT2AMAPTMAPK1 | |
| SCHEMBL15341941 | 0.80 | SMN1; SMN2 (0.37) | CDC7CDK2ROCK1LMNASMN1; SMN2 | |
| SCHEMBL28664988 | 0.79 | CDC7 (0.56) | CDC7CDK2ROCK1MAP3K14MAPT | |
| SCHEMBL28563669 | 0.79 | MAT2A (0.48) | MAT2ACDC7CDK2ROCK1MAP3K14 | |
| SCHEMBL28553902 | 0.79 | MAT2A (0.45) | MAT2ACDC7CDK2ROCK1MAP3K14 | |
| SCHEMBL28557484 | 0.78 | NPC1 (0.44) | LMNASMN1; SMN2RAB9ANPC1KMT2A | |
| SCHEMBL28580525 | 0.76 | CYP3A4 (0.51) | LMNASMN1; SMN2CYP3A4CYP2C19MAPT | |
| SCHEMBL30035515 | 0.76 | CYP3A4 (0.51) | LMNASMN1; SMN2CYP3A4CYP2C19MAPT |
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-109942542-B | Preparation method of 3- (1, 3-diene-2-yl) isoquinoline-1 (2H) -ketone compound | 南开大学 | 2021-05-07 | — | — | CN | disclosed |