Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28538489 | 0.88 | GAA (0.45) | ALDH1A1KDM4EGAAMAPTMAPK1 | |
| SCHEMBL22587919 | 0.84 | IDO1 (0.32) | ALDH1A1KDM4EMAPK1NPSR1LMNA | |
| SCHEMBL28909945 | 0.81 | MAPK1 (0.60) | ALDH1A1MEN1MAPTKMT2AMAPK1 | |
| SCHEMBL28909927 | 0.81 | SCD (0.42) | MAPK1NPSR1LMNAPAK1IDH2 | |
| SCHEMBL355011 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL28538545 | 0.79 | SCD (0.39) | KDM4EGAAMAPK1NPSR1PAK1 | |
| SCHEMBL28538538 | 0.79 | SCD (0.40) | KDM4EGAAMAPK1NPSR1PAK1 | |
| SCHEMBL28527744 | 0.76 | IDH2 (0.40) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL7181978 | 0.76 | MAPT (0.54) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL28522011 | 0.75 | MAPK1 (0.52) | ALDH1A1MEN1MAPTKMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |