Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2169863 | 0.89 | CYP2C19 (0.69) | CYP2C19SMN1; SMN2BLMCYP3A4TSHR | |
| SCHEMBL17169180 | 0.82 | CES2 (0.53) | CYP2C19SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL10814636 | 0.82 | CYP2C19 (0.62) | CYP2C19SMN1; SMN2BLMCYP3A4TSHR | |
| SCHEMBL6473557 | 0.82 | SRC (0.60) | CYP2C19HPGDCYP1A2CYP2C9BLM | |
| SCHEMBL4140665 | 0.82 | HPGD (0.55) | CYP2C19SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL17350200 | 0.80 | TSHR (0.64) | CYP2C19SMN1; SMN2HPGDBLMCYP3A4 | |
| SCHEMBL28074568 | 0.80 | CYP2C19 (0.60) | CYP2C19SMN1; SMN2HPGDCA12MMP2 | |
| Fluoride SCHEMBL31047201 | 0.80 | CES2 (0.52) | CYP2C19SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL4946779 | 0.80 | HPGD (0.49) | CYP2C19SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL8519279 | 0.78 | CYP2C19 (0.45) | CYP2C19SMN1; SMN2HPGDCYP1A2CYP2C9 |
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-104744510-B | Alizarin aminophosphonate ester derivatives and synthetic method thereof and application | 广西师范大学 | 2016-08-17 | — | — | CN | claimed |
| CN-104744510-B | Alizarin aminophosphonate ester derivatives and synthetic method thereof and application | 广西师范大学 | 2016-08-17 | — | — | CN | disclosed |