Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744580 | 1.00 | AMY1A (0.38) | AMY1ANFE2L2PKMRELAALDH1A1 | |
| SCHEMBL22097420 | 0.82 | NFE2L2 (0.36) | AMY1ANFE2L2PKMNPC1MAPT | |
| SCHEMBL4031066 | 0.77 | NFE2L2 (0.36) | AMY1ANFE2L2PKMRELAALDH1A1 | |
| SCHEMBL16958007 | 0.77 | NFE2L2 (0.41) | AMY1ANFE2L2PKMRELAALDH1A1 | |
| SCHEMBL42391 | 0.77 | ERN1 (0.42) | AMY1ANFE2L2PKMRELAALDH1A1 | |
| SCHEMBL29442889 | 0.76 | NFE2L2 (0.54) | NFE2L2ALDH1A1CES2CES1CA3 | |
| SCHEMBL2787330 | 0.76 | HSP90AA1 (0.41) | ALDH1A1LMNACA9 | |
| SCHEMBL491580 | 0.76 | NFE2L2 (0.54) | NFE2L2ALDH1A1CES2CES1CA3 | |
| SCHEMBL29661857 | 0.76 | HSP90AA1 (0.41) | ALDH1A1LMNACA9 | |
| SCHEMBL25287952 | 0.74 | NFE2L2 (0.38) | NFE2L2ALDH1A1LMNATGM2CES2 |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |