Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CCNH | P51946 | 1/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2621737 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL29414488 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL31314983 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1HTTKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL28585105 | 0.78 | PDE10A (0.47) | GBA1ALDH1A1HTTRXFP1KDM4E | |
| SCHEMBL2621733 | 0.77 | EGFR (0.45) | ALDH1A1HTTKDM4ENPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28608866 | 0.76 | PDE10A (0.46) | GBA1ALDH1A1HTTRXFP1KDM4E | |
| SCHEMBL2621735 | 0.75 | ATM (0.40) | — | |
| SCHEMBL17179171 | 0.75 | HTT (0.41) | GBA1ALDH1A1HTTRXFP1PTGES | |
| SCHEMBL1639504 | 0.72 | HTT (0.41) | ALDH1A1HTTRXFP1KDM4ESMN1; SMN2 | |
| SCHEMBL30390906 | 0.72 | HTT (0.41) | ALDH1A1HTTRXFP1KDM4ESMN1; SMN2 |
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 |