Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 6/20 | 0.42 |
| ▸ | PDE1A | P54750 | 3/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | BCR | P11274 | 3/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL25289257 | 1.00 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL19953351 | 0.84 | PDE1A (0.45) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL29786843 | 0.84 | PDE1A (0.45) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL2793864 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL30959286 | 0.76 | NPBWR1 (0.44) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL1943995 | 0.76 | LMNA (0.54) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL16620668 | 0.75 | LMNA (0.53) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL1944851 | 0.75 | LMNA (0.53) | ALDH1A1LMNAMAPTHPGDALOX15 | |
| SCHEMBL21797105 | 0.74 | NPBWR1 (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2NPBWR1 | |
| SCHEMBL28975938 | 0.74 | MAPT (0.48) | ALDH1A1LMNAMAPTHPGDALOX15 |
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-118525018-A | Bialkyne compound and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |