Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14248720 | 0.74 | KDM4E (0.44) | KDM4EALDH1A1ADRA2CDRD2ADRA1A | |
| SCHEMBL20073920 | 0.68 | ADRA2C (0.56) | KDM4EALDH1A1ADRA2CADRA1AMAPT | |
| SCHEMBL19005767 | 0.68 | CHRNB4 (0.38) | DRD2L3MBTL3 | |
| SCHEMBL19005647 | 0.68 | KDM4E (0.41) | KDM4EALDH1A1ADRA2CMAPTGAA | |
| SCHEMBL14160426 | 0.66 | ALDH1A1 (0.81) | KDM4EALDH1A1ADRA2CMAPTGAA | |
| Hydrochloric Acid SCHEMBL4780681 | 0.65 | ALDH1A1 (0.79) | KDM4EALDH1A1ADRA2CMAPTGAA | |
| SCHEMBL19005801 | 0.64 | ACHE (0.41) | DRD2HSD11B1ADRA1AACHEMBTD1 | |
| SCHEMBL929068 | 0.63 | ALDH1A1 (0.59) | KDM4EALDH1A1ADRA2CADRA1AMAPT | |
| SCHEMBL4047339 | 0.62 | ALDH1A1 (0.49) | KDM4EALDH1A1ADRA2CMAPTGAA | |
| SCHEMBL3953375 | 0.62 | ADRA2C (0.68) | KDM4EALDH1A1ADRA2CMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |