Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL16040372 | 1.00 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL16039398 | 1.00 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL30790686 | 1.00 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL23059578 | 0.87 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL16039402 | 0.81 | LRRK2 (0.36) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL30790695 | 0.81 | LRRK2 (0.36) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL16039400 | 0.81 | LRRK2 (0.36) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL16088308 | 0.80 | ADRA1D (0.33) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL16041807 | 0.80 | ADRA1D (0.33) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL21187303 | 0.79 | L3MBTL1 (0.34) | ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B |
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-111741955-B | DNA-PK inhibitors | 沃泰克斯药物股份有限公司 | 2024-02-23 | — | — | CN | disclosed |