Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9404416 | 0.82 | CA12 (0.49) | ALDH1A1HTTGAASMN1; SMN2MAPT | |
| SCHEMBL11354319 | 0.81 | GAA (0.39) | ALDH1A1HTTGAASMN1; SMN2MAPT | |
| SCHEMBL29956354 | 0.79 | MCHR1 (0.44) | ALDH1A1LMNAHTTGAASMN1; SMN2 | |
| SCHEMBL186606 | 0.79 | CA12 (0.43) | ALDH1A1LMNAHTTGAASMN1; SMN2 | |
| SCHEMBL472526 | 0.78 | GAA (0.43) | ALDH1A1LMNAHTTGAASMN1; SMN2 | |
| SCHEMBL31106589 | 0.78 | MCHR1 (0.47) | ALDH1A1LMNAHPGDHTTGAA | |
| SCHEMBL31106597 | 0.78 | MCHR1 (0.47) | ALDH1A1LMNAHPGDHTTGAA | |
| SCHEMBL29950734 | 0.76 | GAA (0.41) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2559136 | 0.76 | CA2 (0.44) | ALDH1A1HTTGAAMAPTCYP3A4 | |
| SCHEMBL6220362 | 0.74 | ALDH1A1 (0.42) | ALDH1A1LMNAHTTGAASMN1; SMN2 |
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-112979654-B | Heteroaryl fused ring compounds, preparation method and application thereof | 赛诺哈勃药业（成都）有限公司 | 2024-03-19 | — | — | CN | disclosed |