Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | PIR | O00625 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31638081 | 0.88 | ALDH1A1 (0.43) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL10700034 | 0.86 | ALDH1A1 (0.47) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL22527488 | 0.86 | ALDH1A1 (0.47) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL9318826 | 0.86 | ALDH1A1 (0.47) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL28664196 | 0.83 | ALDH1A1 (0.58) | ALDH1A1GAAATMCA12CYP1A2 | |
| SCHEMBL27031927 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL27128938 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL20917434 | 0.82 | ALDH1A1 (0.45) | ALDH1A1GAAPKMATMCA12 | |
| SCHEMBL8206560 | 0.82 | GAA (0.50) | ALDH1A1GAAATMCA12CYP1A2 | |
| SCHEMBL8187178 | 0.82 | GAA (0.50) | ALDH1A1GAAATMCA12CYP1A2 |
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-118221532-A | Synthesis method of dobutamine hydrochloride | 上海现代哈森（商丘）药业有限公司 | 2024-06-21 | — | — | CN | disclosed |