Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 4/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362746 | 0.82 | TAS1R3 (0.35) | LSSTAS1R3TAS1R1HPGDRXRA | |
| SCHEMBL20157960 | 0.81 | SRD5A2 (0.49) | CES2CES1RXRAMAPTHTT | |
| SCHEMBL20157297 | 0.81 | GSK3B (0.43) | CES2CES1MAPTALDH1A1CYP4F2 | |
| SCHEMBL20157560 | 0.81 | PTPN1 (0.43) | CES2CES1MAPTHTTSMN1; SMN2 | |
| SCHEMBL21362533 | 0.78 | ACHE (0.43) | LSSHPGDMAPTALDH1A1PTPN1 | |
| SCHEMBL20158073 | 0.78 | LMNA (0.46) | CES2CES1MAPTHTTSMN1; SMN2 | |
| SCHEMBL20157412 | 0.77 | NPC1 (0.54) | CES2CES1HPGDMAPTHTT | |
| SCHEMBL14593132 | 0.73 | CES2 (0.38) | CES2CES1HPGDMAPTALDH1A1 | |
| SCHEMBL21362630 | 0.73 | HPGD (0.38) | LSSTAS1R3TAS1R1HPGDRXRA | |
| SCHEMBL1018494 | 0.71 | PTPN1 (0.47) | CES2CES1HPGDSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |