Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12369405 | 0.67 | CHRM2 (0.36) | — | |
| SCHEMBL19458339 | 0.57 | — | — | |
| SCHEMBL23506486 | 0.56 | HRH4 (0.32) | HRH4 | |
| SCHEMBL27681366 | 0.56 | MAPT (0.53) | ADRA2CKDM4EALDH1A1GAAMAPT | |
| SCHEMBL29150947 | 0.56 | ADRA2C (0.44) | ADRA2CKDM4EALDH1A1GAAMAPT | |
| SCHEMBL23506558 | 0.53 | HRH4 (0.32) | HRH4MAOAMAOB | |
| SCHEMBL132482 | 0.53 | — | — | |
| SCHEMBL22542025 | 0.52 | ADRB1 (0.55) | ADRA2CKDM4EALDH1A1GAAMAPT | |
| SCHEMBL329247 | 0.52 | — | — | |
| SCHEMBL21827323 | 0.52 | — | — |
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 |