Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8106156 | 0.86 | PKM (0.45) | NPC1RAB9AALDH1A1ALDH1A3PKM | |
| SCHEMBL8108170 | 0.85 | PSD (0.48) | NPC1RAB9AALDH1A1PKMRAD51 | |
| SCHEMBL1660663 | 0.82 | NPC1 (0.56) | NPC1RAB9AALDH1A1ALDH1A3PKM | |
| SCHEMBL7920105 | 0.82 | ALDH1A3 (0.59) | NPC1RAB9AALDH1A1ALDH1A3PKM | |
| SCHEMBL8099805 | 0.79 | NPC1 (0.58) | NPC1RAB9AALDH1A1KDM4ERAD51 | |
| SCHEMBL8105987 | 0.79 | NPC1 (0.55) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL1659969 | 0.79 | NPC1 (0.47) | NPC1RAB9AALDH1A1KDM4ERAD51 | |
| SCHEMBL1836844 | 0.78 | GSK3B (0.50) | NPC1RAB9AALDH1A1ALDH1A3KDM4E | |
| SCHEMBL1659994 | 0.78 | KDM4E (0.52) | NPC1RAB9AALDH1A1KDM4ERAD51 | |
| SCHEMBL15175811 | 0.78 | PKM (0.49) | NPC1RAB9AALDH1A1PKMKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115557948-A | Method for preparing pyrido [1,2-a ] pyrimidin-4-one compound selenized at C3 position | 淄博职业学院 | 2023-01-03 | — | — | CN | claimed |
| CN-115557948-A | Method for preparing pyrido [1,2-a ] pyrimidin-4-one compound selenized at C3 position | 淄博职业学院 | 2023-01-03 | — | — | CN | disclosed |