Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | SKP1 | P63208 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2621737 | 1.00 | ALDH1A1 (0.41) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL31314983 | 0.86 | SMN1; SMN2 (0.39) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL23247980 | 0.86 | NCF1 (0.43) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL29414465 | 0.81 | GBA1 (0.53) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL2621733 | 0.81 | EGFR (0.45) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL2621735 | 0.79 | ATM (0.40) | EGFR | |
| SCHEMBL30390906 | 0.76 | HTT (0.41) | ALDH1A1SMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL1639504 | 0.76 | HTT (0.41) | ALDH1A1SMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL7048629 | 0.75 | NCF1 (0.55) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL26919701 | 0.75 | HTT (0.44) | ALDH1A1MAPTPTGESPIK3CAHTT |
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-118184629-B | Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2025-02-07 | — | — | 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 |