Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22989549 | 0.84 | GAA (0.47) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL4371076 | 0.84 | NPC1 (0.51) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL31738171 | 0.82 | NPC1 (0.44) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL15600324 | 0.79 | GAA (0.56) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL4943635 | 0.78 | GAA (0.59) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL22989810 | 0.74 | GAA (0.55) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL27879703 | 0.73 | ATR (0.47) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL16774987 | 0.73 | GAA (0.52) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL6852142 | 0.73 | GAA (0.61) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL31738180 | 0.72 | MAPT (0.53) | GAAMEN1KMT2ARAB9ANPC1 |
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-2021027943-A1 | PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-02-18 | — | — | WO | disclosed |