Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12780425 | 0.82 | AGBL2 (0.41) | AGBL2BACE1MEN1CYP3A4PTGS1 | |
| SCHEMBL11978270 | 0.80 | AGBL2 (0.39) | AGBL2CFTRBACE1APPBACE2 | |
| SCHEMBL30259690 | 0.80 | AGBL2 (0.39) | AGBL2CFTRBACE1APPBACE2 | |
| SCHEMBL24852722 | 0.79 | KDM4E (0.38) | CFTRBACE1GABRA1GABRG2GABRB3 | |
| SCHEMBL17496438 | 0.78 | SMN1; SMN2 (0.38) | AGBL2BACE1APPBACE2CYP3A4 | |
| SCHEMBL14721490 | 0.78 | HCAR2 (0.42) | AGBL2BACE1APPBACE2GABRA1 | |
| SCHEMBL319381 | 0.76 | NPSR1 (0.41) | AGBL2CFTRBACE1APPBACE2 | |
| SCHEMBL18865713 | 0.73 | APP (0.32) | AGBL2BACE1APPBACE2 | |
| SCHEMBL22092246 | 0.70 | AGBL2 (0.38) | AGBL2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL26928475 | 0.69 | AGBL2 (0.50) | AGBL2BACE1BACE2GABRA1GABRG2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |