Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293227 | 0.85 | CYP2C19 (0.51) | NPC1RAB9AEGFRKMT2AALDH1A1 | |
| SCHEMBL30081082 | 0.85 | HPGD (0.53) | NPC1RAB9AXDHKMT2AALDH1A1 | |
| SCHEMBL28873062 | 0.85 | HPGD (0.53) | NPC1RAB9AXDHKMT2AALDH1A1 | |
| SCHEMBL30081081 | 0.83 | XDH (0.53) | XDHKMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL28873084 | 0.83 | XDH (0.53) | XDHKMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL30081083 | 0.80 | XDH (0.57) | NPC1RAB9AEGFRXDHKMT2A | |
| SCHEMBL28297822 | 0.80 | XDH (0.57) | NPC1RAB9AEGFRXDHKMT2A | |
| SCHEMBL28957475 | 0.79 | XDH (0.45) | XDHKMT2AALDH1A1MEN1GAA | |
| SCHEMBL30081090 | 0.79 | XDH (0.45) | XDHKMT2AALDH1A1MEN1GAA | |
| SCHEMBL28873069 | 0.79 | NAAA (0.52) | EGFRXDHALDH1A1MAOBAKR1B10 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |