Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157960 | 0.88 | SRD5A2 (0.49) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL21362717 | 0.84 | CES2 (0.38) | SRD5A2MAPTHTTNPC1MAPK1 | |
| SCHEMBL20157898 | 0.84 | PTPN1 (0.43) | MAPTALDH1A1LMNANPC1MAPK1 | |
| SCHEMBL20157430 | 0.83 | MAPT (0.60) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL21362472 | 0.81 | SRD5A2 (0.43) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL24199841 | 0.81 | MAPT (0.51) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL8063796 | 0.80 | MAPT (0.71) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL7013140 | 0.79 | ALDH1A1 (0.67) | SRD5A2ALDH1A1LMNAHTTNPC1 | |
| SCHEMBL18680481 | 0.76 | CYP4F2 (0.45) | MAPTALDH1A1NPC1CYP4F2CYP4A11 | |
| SCHEMBL20157601 | 0.75 | MAPT (0.64) | MAPTALDH1A1LMNAHTTNPC1 |
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 |