Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7622974 | 1.00 | ACHE (0.41) | ACHEMEN1KMT2AALDH1A1AADAT | |
| SCHEMBL7155428 | 0.80 | ACHE (0.43) | ACHEMEN1KMT2AALDH1A1AADAT | |
| SCHEMBL2968862 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HTR2C | |
| SCHEMBL18759731 | 0.79 | AADAT (0.41) | ACHEALDH1A1AADATOPRL1KCNH2 | |
| SCHEMBL23674999 | 0.78 | OPRL1 (0.40) | ACHEMEN1KMT2AALDH1A1AADAT | |
| SCHEMBL25954921 | 0.77 | NOTUM (0.36) | KMT2AALDH1A1HTR2CSLC6A2SLC6A4 | |
| SCHEMBL7621892 | 0.77 | HTR2C (0.35) | ACHEMEN1KMT2AALDH1A1AADAT | |
| SCHEMBL16316989 | 0.74 | ACHE (0.39) | ACHEMEN1KMT2AALDH1A1HTR2C | |
| SCHEMBL2044938 | 0.73 | UGT2B17 (0.49) | — | |
| SCHEMBL5156234 | 0.73 | POLB (0.44) | ALDH1A1MAPT |
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-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |