Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157429 | 0.88 | SRD5A2 (0.49) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL20157976 | 0.85 | MAPT (0.49) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL20157297 | 0.84 | GSK3B (0.43) | SRD5A2MAPTALDH1A1MAPK1GSK3B | |
| SCHEMBL20157560 | 0.84 | PTPN1 (0.43) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL20157412 | 0.84 | NPC1 (0.54) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157951 | 0.82 | MAPT (0.47) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL20157342 | 0.81 | SRD5A2 (0.43) | SRD5A2MAPTALDH1A1LMNAHTT | |
| SCHEMBL20158073 | 0.81 | LMNA (0.46) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157821 | 0.81 | CYP4F2 (0.46) | MAPTALDH1A1NPC1RAB9ACYP4F2 | |
| SCHEMBL20157772 | 0.81 | LOXL2 (0.38) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| 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 |