Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157560 | 0.85 | PTPN1 (0.43) | CES2CES1S1PR1PTPN1LTA4H | |
| SCHEMBL11831342 | 0.85 | MAPT (0.44) | CES2CES1ATMMAPTMAPK1 | |
| SCHEMBL20157516 | 0.84 | ALDH1A1 (0.48) | CES2CES1LMNASMN1; SMN2HTT | |
| SCHEMBL11860220 | 0.81 | LTA4H (0.46) | CES2CES1PTPN1LTA4HLMNA | |
| SCHEMBL20157757 | 0.80 | LMNA (0.50) | CES2CES1S1PR1PTPN1ABL1 | |
| SCHEMBL21351905 | 0.79 | CA2 (0.41) | S1PR1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL21362538 | 0.79 | SRD5A2 (0.39) | CES2CES1S1PR1LMNASMN1; SMN2 | |
| SCHEMBL21362568 | 0.79 | EPHX2 (0.41) | — | |
| SCHEMBL20157557 | 0.79 | PTPN1 (0.39) | CES2CES1S1PR1PTPN1LMNA | |
| SCHEMBL21362418 | 0.78 | THRA (0.47) | — |
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 |