Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL13759266 | 0.77 | SYK (0.43) | ALDH1A1HRH3 | |
| SCHEMBL14530066 | 0.76 | NUDT1 (0.34) | HTR1DHTR1BHCAR3 | |
| SCHEMBL13759271 | 0.72 | GAA (0.36) | L3MBTL1 | |
| SCHEMBL14557578 | 0.72 | PTGDR (0.41) | ESR1ESR2ALDH1A1BLML3MBTL1 | |
| SCHEMBL12501346 | 0.71 | HRH3 (0.44) | ALDH1A1HTR1DHTR1BCHRNB2CHRNA4 | |
| SCHEMBL22536868 | 0.68 | HTR1B (0.52) | ALDH1A1L3MBTL1HTR1DHTR1BCHRNB2 | |
| SCHEMBL13967286 | 0.67 | ESR1 (0.68) | ESR1ESR2ALDH1A1BLML3MBTL1 | |
| SCHEMBL16543304 | 0.66 | TLR8 (0.54) | ESR1ESR2ALDH1A1TLR8ABCB1 | |
| SCHEMBL13759375 | 0.65 | SYK (0.44) | ALDH1A1HRH3 | |
| SCHEMBL12963407 | 0.65 | CYP1A2 (0.49) | ESR1ESR2ALDH1A1BLML3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007050980-A2 | PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2007-05-03 | — | — | WO | disclosed |