Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL27611513 | 0.87 | NCOA3 (0.35) | KIF11ACHECYP1A2FYNAHR | |
| Isoquinoline SCHEMBL28791581 | 0.86 | NCOA3 (0.34) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL29798977 | 0.84 | ALDH1A1 (0.44) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL27340861 | 0.84 | ALDH1A1 (0.44) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL28111343 | 0.83 | KIF11 (0.42) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL28147145 | 0.83 | KIF11 (0.42) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL27409389 | 0.80 | NQO1 (0.43) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL28787864 | 0.80 | NQO1 (0.43) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL27491265 | 0.80 | KIF11 (0.43) | KIF11ACHECYP1A2FYNAHR | |
| SCHEMBL28164410 | 0.80 | KIF11 (0.43) | KIF11ACHECYP1A2FYNAHR |
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-107531690-A | The amines of 4,5,6,7 tetrahydrochysene 1H pyrazolos [4,3 c] pyridine 3 as CBP and/or EP300 inhibitor | 基因泰克公司 | 2018-01-02 | — | — | CN | disclosed |