Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31483533 | 0.84 | PLK1 (0.54) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK13 | |
| SCHEMBL3839155 | 0.83 | MAPK13 (0.58) | ALDH1A1MAPTMAPK13MAPK12MAPK11 | |
| SCHEMBL11530249 | 0.83 | PLK1 (0.52) | ALDH1A1MAPTPLK1KMT2AMEN1 | |
| SCHEMBL11613215 | 0.82 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL11526984 | 0.82 | PLK1 (0.54) | ALDH1A1MAPTPLK1KMT2AMEN1 | |
| SCHEMBL5414509 | 0.82 | PLK1 (0.54) | ALDH1A1MAPTPLK1KMT2AMEN1 | |
| SCHEMBL3842158 | 0.81 | AKR1C3 (0.60) | ALDH1A1MAPTMAPK13MAPK12MAPK11 | |
| SCHEMBL14648743 | 0.81 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL5314074 | 0.81 | AKR1C3 (0.66) | ALDH1A1PLK1AKR1C3L3MBTL1KDM4E | |
| SCHEMBL18928199 | 0.81 | LIG1 (0.65) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |