Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | ACP1 | P24666 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28608866 | 0.98 | PDE10A (0.46) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL14582925 | 0.85 | PDE10A (0.44) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7048629 | 0.78 | NCF1 (0.55) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL29414465 | 0.78 | GBA1 (0.53) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL28590788 | 0.76 | NCF1 (0.53) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL6034068 | 0.74 | HTT (0.50) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5435508 | 0.74 | RAB9A (0.49) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4268344 | 0.74 | NCF1 (0.62) | L3MBTL1MAPTMYCACP1LMNA | |
| SCHEMBL26677368 | 0.74 | KDM4E (0.43) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11428338 | 0.73 | RAB9A (0.39) | PDE10ANPC1RAB9ASMN1; SMN2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118184629-A | Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-113135898-B | Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof | 中国药科大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113135898-A | Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof | 中国药科大学 | 2021-07-20 | — | — | CN | disclosed |