Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.31 |
| ▸ | RXRB | P28702 | 2/20 | 0.31 |
| ▸ | RXRG | P48443 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157831 | 0.88 | CXCR2 (0.40) | CXCR2UCHL1GAAALDH1A1LPL | |
| SCHEMBL21352255 | 0.83 | CES2 (0.34) | CXCR2CES2CES1HTTKMT2A | |
| SCHEMBL21362406 | 0.81 | CES2 (0.33) | CXCR2CES2CES1HTTKMT2A | |
| SCHEMBL20157959 | 0.81 | UCHL1 (0.36) | UCHL1ALDH1A1HTT | |
| SCHEMBL21362181 | 0.80 | ACHE (0.41) | CXCR2UCHL1ALDH1A1HTTKMT2A | |
| SCHEMBL20157759 | 0.80 | UCHL1 (0.37) | UCHL1GAAALDH1A1HTTKMT2A | |
| SCHEMBL20157615 | 0.78 | UCHL1 (0.48) | UCHL1GAAALDH1A1HTTKMT2A | |
| SCHEMBL20157570 | 0.77 | CES2 (0.41) | CES2CES1GAAALDH1A1HTT | |
| SCHEMBL20157565 | 0.77 | LMNA (0.43) | CXCR2UCHL1LPLLIPG | |
| SCHEMBL20157794 | 0.74 | KLKB1 (0.34) | UCHL1RXRARXRBRXRGALDH1A1 |
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 |