Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.39 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13458882 | 0.81 | CYP1A2 (0.53) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL19663432 | 0.79 | KDM4E (0.47) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5657797 | 0.79 | KDM4E (0.47) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL12507904 | 0.77 | KDM4E (0.45) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL26386067 | 0.77 | TDO2 (0.40) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5657793 | 0.74 | KDM4E (0.50) | KDM4E | |
| SCHEMBL30746989 | 0.74 | TLR9 (0.39) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29131130 | 0.74 | MAPT (0.38) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1536432 | 0.74 | KDM4E (0.57) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL30746959 | 0.74 | KDM4E (0.57) | KDM4EGABRPGABRDGABRA1GABRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024088069-A1 | PREPARATION FOR AROMATIC KRAS MUTANT PROTEIN INHIBITOR AND USE THEREOF | 药雅科技(上海)有限公司 | 2024-05-02 | — | — | WO | disclosed |
| CN-117903192-A | Preparation method of 3-methoxy isoquinoline compound intermediate | 上海相辉医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117263959-A | Preparation and application of aromatic KRAS mutant protein inhibitor | 药雅科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-116375704-A | KRAS G12C Preparation and application of mutant protein isoquinolinone inhibitor | 药雅科技(上海)有限公司 | 2023-07-04 | — | — | CN | disclosed |