Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 6/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL658129 | 0.70 | ASIC3 (0.41) | ASIC3TRPA1CYP2A6LMNAMAPK1 | |
| SCHEMBL30491673 | 0.68 | NOS3 (0.43) | ASIC3TRPA1MAOAMAOB | |
| SCHEMBL658524 | 0.68 | NOS3 (0.43) | ASIC3TRPA1MAOAMAOB | |
| SCHEMBL20719886 | 0.68 | ASIC3 (0.40) | ASIC3TRPA1CYP2A6MAOAMAOB | |
| SCHEMBL8024180 | 0.68 | CYP2A6 (0.48) | ASIC3TRPA1CYP2A6L3MBTL1HSD17B10 | |
| SCHEMBL30812428 | 0.68 | TRPA1 (0.42) | ASIC3TRPA1CYP2A6MAOAMAOB | |
| SCHEMBL5582897 | 0.68 | TRPA1 (0.42) | ASIC3TRPA1CYP2A6MAOAMAOB | |
| SCHEMBL23886248 | 0.68 | HTR2C (0.40) | TRPA1CYP2A6TDO2IDO1KDM4E | |
| SCHEMBL251028 | 0.65 | PLAU (0.50) | CYP2A6KDM4EALDH1A1HPGDGAA | |
| SCHEMBL3203940 | 0.65 | CA1 (0.41) | CYP2A6L3MBTL1KMT2ACYP1A2MAPK1 |
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-113929693-B | Nitrogen-containing heterocyclic compound, pharmaceutical composition and application | 广州费米子科技有限责任公司 | 2023-05-09 | — | — | CN | disclosed |
| WO-2022012534-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS | 广州费米子科技有限责任公司 | 2022-01-20 | — | — | WO | disclosed |