Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.47 |
| ▸ | HBB | P68871 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 1,2-Diethoxybenzene SCHEMBL28293846 | 0.92 | L3MBTL1 (0.52) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.87 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.87 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| 1,2-Diethoxybenzene SCHEMBL8912901 | 0.85 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL4659741 | 0.85 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL30283197 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL5451 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL4920959 | 0.80 | L3MBTL1 (0.76) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL10998289 | 0.80 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| Phenetole SCHEMBL27809936 | 0.79 | LTA4H (0.65) | ALDH1A1L3MBTL1MAPTTDP1LMNA |
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-109796351-A | A kind of novel preparation method of drotaverine hydrochloride intermediate | 江苏联环药业股份有限公司 | 2019-05-24 | — | — | CN | disclosed |