Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL29835780 | 1.00 | ACHE (0.49) | ACHECDC25BS100A4ATMFAAH | |
| SCHEMBL10534363 | 0.81 | ACHE (0.49) | ACHES100A4FAAHABCC4CACNA1F | |
| SCHEMBL23043833 | 0.76 | CDC25B (0.53) | ACHECDC25BATM | |
| SCHEMBL16377312 | 0.73 | S100A4 (0.55) | ACHES100A4CYP3A4HTR2B | |
| SCHEMBL22521864 | 0.69 | S100A4 (0.50) | ACHES100A4CYP3A4HTR2B | |
| SCHEMBL13337387 | 0.69 | S100A4 (0.53) | ACHES100A4ATMCYP3A4MAOB | |
| SCHEMBL23792505 | 0.68 | S100A4 (0.49) | ACHES100A4CYP3A4MAOBHTR2B | |
| SCHEMBL19748927 | 0.66 | ACHE (0.71) | ACHESIGMAR1 | |
| Buparvaquone SCHEMBL21863689 | 0.64 | CDC25B (0.82) | CDC25BATMCYP3A4 | |
| SCHEMBL11037610 | 0.64 | CDC25B (0.66) | CDC25BATMMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110734368-B | Preparation method of buparvaquone | 新发药业有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-110734368-B | Preparation method of buparvaquone | 新发药业有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-110734368-A | Preparation method of buparvaquone | 新发药业有限公司 | 2020-01-31 | — | — | CN | disclosed |
| CN-110734368-A | Preparation method of buparvaquone | 新发药业有限公司 | 2020-01-31 | — | — | CN | disclosed |