Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 4/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151045 | 0.85 | CYP17A1 (0.43) | AOC1AOC3KDM4CPTGS1PTGS2 | |
| SCHEMBL23049095 | 0.81 | CA12 (0.46) | AOC1AOC3KDM4EHPGDKDM4C | |
| SCHEMBL28151932 | 0.75 | CYP17A1 (0.45) | AOC1AOC3ALDH1A1LMNAPTGS1 | |
| SCHEMBL21515820 | 0.74 | AOC1 (0.44) | AOC1AOC3KDM4CPTGS1PTGS2 | |
| SCHEMBL29102388 | 0.74 | APP (0.51) | AOC3ALDH1A1LMNAPTGS1PTGS2 | |
| SCHEMBL28151936 | 0.74 | CHRNB4 (0.44) | AOC1AOC3MELKKDM4CCHRNB2 | |
| SCHEMBL29102352 | 0.74 | SYK (0.39) | AOC1AOC3KDM4EKDM4CPTGS1 | |
| SCHEMBL4069875 | 0.74 | ALDH1A1 (0.40) | MELKALDH1A1KDM4ENPC1LMNA | |
| Hydrochloric Acid SCHEMBL28441332 | 0.73 | AOC1 (0.46) | AOC1AOC3KDM4CPTGS1PTGS2 | |
| SCHEMBL4069873 | 0.72 | ALDH1A1 (0.39) | MELKALDH1A1KDM4ENPC1LMNA |
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-3896062-A1 | ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-10-20 | — | — | EP | disclosed |