Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | TACR3 | P29371 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648433 | 0.86 | CYP2C19 (0.36) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL1417675 | 0.84 | CYP4F2 (0.37) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL4811675 | 0.84 | MAPT (0.41) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL31369191 | 0.84 | CYP4F2 (0.36) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL7626939 | 0.81 | CYP2C19 (0.36) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL22211342 | 0.79 | TACR1 (0.44) | CYP2C19CYP3A4TSHRMAPTKDM4E | |
| SCHEMBL9079831 | 0.79 | CYP2C19 (0.34) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL8468255 | 0.79 | CYP2C19 (0.34) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL9732373 | 0.79 | CYP2C19 (0.34) | NPSR1CYP2C19CYP3A4TSHRMAPT | |
| SCHEMBL10970901 | 0.78 | RAD52 (0.31) | — |
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-103596917-B | The manufacture method of cyclopentanone compound and midbody compound | 株式会社吴羽 | 2016-08-17 | — | — | CN | disclosed |