Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | ALPG | P10696 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18887599 | 0.94 | TSHR (0.56) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24450637 | 0.87 | ALDH1A1 (0.60) | ALDH1A1MAPTKDM4EGAAGFER | |
| SCHEMBL5489263 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29463785 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21605365 | 0.86 | ALDH1A1 (0.59) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6916631 | 0.84 | TDP1 (0.58) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5090844 | 0.83 | SMPD1 (0.53) | — | |
| SCHEMBL11806576 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27685761 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1883666 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 |
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-B | Novel preparation method of drotaverine hydrochloride intermediate | 江苏联环药业股份有限公司 | 2021-08-17 | — | — | CN | disclosed |