Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10344814 | 0.83 | CYP3A4 (0.48) | CYP3A4GAADPP4ALDH1A1POLB | |
| SCHEMBL8861080 | 0.82 | KDM4E (0.40) | CYP3A4GAADPP4ALDH1A1POLB | |
| SCHEMBL11504756 | 0.79 | CYP3A4 (0.48) | CYP3A4DPP4ALDH1A1TTRTSHR | |
| SCHEMBL7025073 | 0.77 | ALDH1A1 (0.51) | CYP3A4GAAALDH1A1TSHRHSD17B10 | |
| SCHEMBL8574199 | 0.76 | GAA (0.47) | GAAALDH1A1TSHRHSD17B10HPGD | |
| SCHEMBL3136996 | 0.76 | TSHR (0.43) | CYP3A4DPP4ALDH1A1POLBTTR | |
| SCHEMBL348918 | 0.74 | CYP3A4 (0.53) | CYP3A4GAADPP4ALDH1A1POLB | |
| SCHEMBL7015064 | 0.74 | DPP4 (0.48) | CYP3A4DPP4ALDH1A1POLBTSHR | |
| SCHEMBL31460347 | 0.74 | THRB (0.44) | CYP3A4GAADPP4ALDH1A1POLB | |
| SCHEMBL2588215 | 0.74 | DPP4 (0.46) | CYP3A4DPP4ALDH1A1TTRTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107903269-A | A kind of preparation method of three chlorine derivative of anagrelide | 湖北省宏源药业科技股份有限公司 | 2018-04-13 | — | — | CN | claimed |
| CN-112142746-B | Benzodiazepine compound, preparation method and medical application thereof | 四川大学华西医院 | 2021-09-24 | — | — | CN | disclosed |
| CN-112142746-A | Benzodiazepine compound, preparation method and medical application thereof | 四川大学华西医院 | 2020-12-29 | — | — | CN | disclosed |
| CN-107903269-A | A kind of preparation method of three chlorine derivative of anagrelide | 湖北省宏源药业科技股份有限公司 | 2018-04-13 | — | — | CN | disclosed |
| EP-0781767-A1 | Process for producing isatoic anhydrides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |