Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11589756 | 1.00 | HSD17B1 (0.39) | HSD17B1HSD17B2ALDH1A1CES2CES1 | |
| SCHEMBL78211 | 0.82 | CA1 (0.43) | HSD17B1HSD17B2CES2CES1CA1 | |
| SCHEMBL8870542 | 0.81 | ALDH1A1 (0.36) | HSD17B1HSD17B2ALDH1A1CES2CES1 | |
| SCHEMBL3790406 | 0.81 | VRK1 (0.34) | HSD17B1HSD17B2ALDH1A1KDM4ELMNA | |
| SCHEMBL22831784 | 0.80 | THRB (0.36) | HSD17B1HSD17B2ALDH1A1CES2CES1 | |
| SCHEMBL31150392 | 0.80 | THRB (0.36) | HSD17B1HSD17B2ALDH1A1CES2CES1 | |
| SCHEMBL998262 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CES2CES1CA1CA2 | |
| SCHEMBL5513276 | 0.76 | TAAR1 (0.44) | HSD17B1HSD17B2ALDH1A1CES2CES1 | |
| SCHEMBL21811388 | 0.75 | ALDH1A1 (0.41) | HSD17B1HSD17B2ALDH1A1KDM4ELMNA | |
| SCHEMBL29690296 | 0.74 | ALDH1A1 (0.36) | ALDH1A1CES2CES1CA1CA2 |
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-114026073-B | Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders | ARRAY生物制药公司 | 2024-08-23 | — | — | CN | disclosed |