Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCE | Q02156 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30602390 | 0.82 | ALDH1A1 (0.42) | HPGDKMT2AALDH1A1MEN1HTT | |
| SCHEMBL24595665 | 0.81 | ALDH1A1 (0.48) | HPGDKMT2AALDH1A1MEN1MAPT | |
| SCHEMBL30622253 | 0.81 | ALDH1A1 (0.48) | HPGDKMT2AALDH1A1MEN1MAPT | |
| SCHEMBL256775 | 0.80 | MLYCD (0.41) | HPGDKMT2AALDH1A1MEN1MAPT | |
| SCHEMBL408849 | 0.77 | CA1 (0.44) | PRKCEALDH1A1HTTRAB9APOLB | |
| SCHEMBL29133089 | 0.77 | ALDH1A1 (0.53) | KMT2AALDH1A1MEN1MAPTHTT | |
| SCHEMBL256771 | 0.76 | NOTUM (0.50) | HPGDKMT2AALDH1A1MEN1MAPT | |
| SCHEMBL30622268 | 0.76 | NOTUM (0.50) | HPGDKMT2AALDH1A1MEN1MAPT | |
| SCHEMBL29133180 | 0.75 | GSK3B (0.49) | KMT2AALDH1A1MEN1MAPTGAA | |
| SCHEMBL29133080 | 0.74 | TP53 (0.41) | KMT2AALDH1A1MEN1MAPTGAA |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |