Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25686895 | 0.83 | BCHE (0.40) | KDM4EALDH1A1RAB9AMAPK14CSNK1E | |
| SCHEMBL30007231 | 0.83 | BCHE (0.40) | KDM4EALDH1A1RAB9AMAPK14CSNK1E | |
| SCHEMBL16198250 | 0.71 | MAP4K4 (0.34) | MAP4K4MINK1TNIKAAK1 | |
| SCHEMBL25276606 | 0.69 | MPL (0.32) | MAP4K4MINK1TNIKIDO1TRPA1 | |
| SCHEMBL14510530 | 0.68 | CES2 (0.38) | PGR | |
| SCHEMBL2651520 | 0.68 | GPBAR1 (0.34) | MAP4K4MINK1TNIKRAB9AAAK1 | |
| SCHEMBL30007751 | 0.68 | GPBAR1 (0.34) | MAP4K4MINK1TNIKRAB9AAAK1 | |
| SCHEMBL30211293 | 0.68 | MAPK14 (0.38) | MAP4K4MINK1RAB9AGSK3BMAPK14 | |
| SCHEMBL28188625 | 0.66 | IDO1 (0.46) | KMOMAP4K4KDM4EALDH1A1MAPK1 | |
| SCHEMBL24783824 | 0.66 | KDM4E (0.36) | MAP4K4MINK1TNIKKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |