Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28114422 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2RXFP1ADORA2AADORA1CTSA | |
| SCHEMBL28114421 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2RXFP1ADORA2AADORA1CTSA | |
| SCHEMBL28114412 | 0.85 | CTSA (0.37) | SMN1; SMN2RXFP1CTSATLR9HSP90AA1 | |
| SCHEMBL20239111 | 0.80 | CTSA (0.52) | SMN1; SMN2ADORA2AADORA1CTSAHPGD | |
| SCHEMBL28878618 | 0.80 | CTSA (0.52) | SMN1; SMN2ADORA2AADORA1CTSAHPGD | |
| SCHEMBL28329413 | 0.80 | CTSA (0.52) | SMN1; SMN2ADORA2AADORA1CTSAHPGD | |
| SCHEMBL27945856 | 0.72 | CTSA (0.66) | CTSA | |
| SCHEMBL27832480 | 0.71 | TAS1R3 (0.30) | — | |
| SCHEMBL27832481 | 0.69 | MEN1 (0.33) | TP53KMT2AMEN1 | |
| Iodide SCHEMBL27812261 | 0.69 | — | — |
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-106103423-A | Chemical compound | 阿斯利康(瑞典)有限公司 | 2016-11-09 | — | — | CN | disclosed |