Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 10/20 | 0.42 |
| ▸ | PPARG | P37231 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL1702793 | 0.85 | THRB (0.42) | PPARAGAA | |
| SCHEMBL28762234 | 0.83 | THRB (0.40) | PPARAGAA | |
| SCHEMBL27879272 | 0.83 | THRB (0.40) | PPARAGAA | |
| SCHEMBL27895981 | 0.83 | THRB (0.40) | PPARAGAA | |
| SCHEMBL27830902 | 0.80 | PIN1 (0.43) | CYP1A2MAPTNPC1 | |
| SCHEMBL5751604 | 0.78 | KMT2A (0.53) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9715374 | 0.75 | PPARA (0.45) | PPARAPPARGCYP1A2GAACYP2C9 | |
| SCHEMBL27688938 | 0.75 | PTGS2 (0.53) | PTGS2PPARAPPARGCYP1A2GAA | |
| SCHEMBL8668873 | 0.75 | PPARG (0.46) | PPARAPPARGL3MBTL1SMN1; SMN2PPARD | |
| SCHEMBL1172257 | 0.74 | LMNA (0.38) | PTGS2PPARAPPARGL3MBTL1 |
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 2 patents. 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 | claimed |
| 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 |