Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17681729 | 0.81 | AKR1B1 (0.47) | NOS1CDK2CCNA2CCNA1KDM4E | |
| SCHEMBL27921470 | 0.81 | MAP4K1 (0.39) | NOS1CDK2CCNA2CCNA1KDM4E | |
| SCHEMBL29705791 | 0.81 | AKR1B1 (0.47) | NOS1CDK2CCNA2CCNA1KDM4E | |
| SCHEMBL14995563 | 0.77 | NOS1 (0.50) | NOS1AXLIDO1TDO2CDK2 | |
| SCHEMBL6923181 | 0.76 | NOS1 (0.49) | NOS1AXLIDO1TDO2CDK2 | |
| SCHEMBL27768072 | 0.75 | MAP4K1 (0.41) | IDO1TDO2METAP2 | |
| SCHEMBL27789492 | 0.75 | AKR1B1 (0.37) | NOS1IDO1TDO2METAP2 | |
| SCHEMBL27623890 | 0.72 | TSHR (0.47) | AXLIDO1CDK2CCNA2CCNA1 | |
| SCHEMBL14987568 | 0.71 | GLS (0.52) | NOS1AXLIDO1TDO2KDM4E | |
| SCHEMBL20439372 | 0.71 | NOS1 (0.55) | NOS1AXLIDO1TDO2CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687810-A | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL | 2010-03-31 | — | — | CN | disclosed |
| CN-101622233-A | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL | 2010-01-06 | — | — | CN | disclosed |