Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622195 | 1.00 | CTSD (0.49) | CTSDALDH1A1GAACA1CA2 | |
| SCHEMBL29133214 | 0.85 | ALDH1A1 (0.46) | ALDH1A1GAAKMT2ANPC1RAB9A | |
| SCHEMBL29132974 | 0.84 | KMT2A (0.46) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL2486632 | 0.78 | CTSD (0.56) | CTSDALDH1A1GAACA1CA2 | |
| SCHEMBL29133098 | 0.77 | HPGD (0.35) | ALDH1A1GAAKMT2ANPC1RAB9A | |
| SCHEMBL29133131 | 0.76 | GAA (0.36) | CTSDALDH1A1GAACA1CA2 | |
| SCHEMBL30622211 | 0.76 | GAA (0.36) | CTSDALDH1A1GAACA1CA2 | |
| SCHEMBL22059497 | 0.76 | ALDH1A1 (0.34) | CTSDALDH1A1GAAKMT2ANPC1 | |
| SCHEMBL4799665 | 0.75 | IDO1 (0.37) | ALDH1A1GAAKMT2AMEN1KDM4E | |
| SCHEMBL18190399 | 0.75 | P2RX7 (0.50) | CTSDALDH1A1GAACA1CA2 |
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 |