Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL13193468 | 0.80 | ADRB2 (0.52) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL16234245 | 0.78 | ADRB2 (0.50) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL10410615 | 0.78 | ADRB2 (0.50) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL96817 | 0.78 | ADRB2 (0.50) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL11815736 | 0.78 | ADRB2 (0.50) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL197810 | 0.75 | ADRB2 (0.65) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL28969167 | 0.75 | ESR1 (0.56) | TSHRHIF1ATDP1LMNATP53 | |
| SCHEMBL28969210 | 0.75 | ESR1 (0.56) | TSHRHIF1ATDP1LMNATP53 | |
| SCHEMBL27330191 | 0.75 | IDO1 (0.39) | IDO1TDO2AOC3 | |
| SCHEMBL27686348 | 0.75 | TSHR (0.48) | ADRB2TSHRMAPK1HIF1ATDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1980896-A | Scalable synthesis of imidazole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2007-06-13 | — | — | CN | claimed |
| CN-1980896-A | Scalable synthesis of imidazole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2007-06-13 | — | — | CN | disclosed |
| CN-1759103-A | Water-soluble phenylpyridazine derivative and medicine containing the same | KOWA CO (JP) | 2006-04-12 | — | — | CN | disclosed |