Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2894833 | 0.78 | NPC1 (0.50) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL30800458 | 0.73 | MAOB (0.53) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL4939083 | 0.73 | MAOB (0.53) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL31562845 | 0.72 | CACNA1B (0.41) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL7140411 | 0.72 | HDAC1 (0.46) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL14908404 | 0.71 | KMT2A (0.49) | NPC1KMT2AMEN1KDM4EGAA | |
| SCHEMBL8407940 | 0.70 | NPC1 (0.54) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL4365909 | 0.70 | PTGS2 (0.54) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL22989897 | 0.69 | MAOB (0.51) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL2493016 | 0.69 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1PPARG |
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 |