Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503148 | 0.93 | MEN1 (0.47) | KMT2AMEN1CES2CES1ALDH1A1 | |
| SCHEMBL28501871 | 0.87 | APP (0.44) | KMT2AMEN1ALDH1A1LMNANPSR1 | |
| SCHEMBL28501872 | 0.83 | VCP (0.51) | KMT2AMEN1CES2CES1ALDH1A1 | |
| SCHEMBL28905221 | 0.83 | PYCR1 (0.36) | KMT2AMEN1ALDH1A1LMNANPSR1 | |
| SCHEMBL28644592 | 0.83 | VCP (0.51) | KMT2AMEN1CES2CES1ALDH1A1 | |
| SCHEMBL28509386 | 0.83 | APP (0.39) | KMT2ALMNANPSR1SMN1; SMN2GFER | |
| SCHEMBL28509927 | 0.82 | GAA (0.43) | KMT2AMEN1ALDH1A1NPSR1MAPT | |
| SCHEMBL28505750 | 0.79 | RARB (0.49) | KMT2AMEN1ALDH1A1LMNAMAPT | |
| SCHEMBL28513684 | 0.79 | RAB9A (0.48) | KMT2AMEN1CES2CES1ALDH1A1 | |
| SCHEMBL28556102 | 0.79 | NPC1 (0.41) | CES2CES1ALDH1A1TSHRNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112062735-B | Synthesis method of isoselenazole derivative | 温州大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-112159364-B | Synthetic method of isothiazole derivative | 温州大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-112159364-A | Synthetic method of isothiazole derivative | 温州大学 | 2021-01-01 | — | — | CN | disclosed |
| CN-112062735-A | Synthesis method of isoselenazole derivative | 温州大学 | 2020-12-11 | — | — | CN | disclosed |