Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14604994 | 0.82 | CES2 (0.43) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL12224082 | 0.82 | CES2 (0.43) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL5685217 | 0.80 | CES2 (0.45) | CES2CES1TAAR1GAAALDH1A1 | |
| SCHEMBL11496481 | 0.79 | RARB (0.39) | TAAR1 | |
| SCHEMBL8413462 | 0.78 | KMT2A (0.45) | TAAR1GAAALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL4787890 | 0.77 | CES2 (0.50) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL28370184 | 0.77 | CES2 (0.50) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL6920215 | 0.77 | CES2 (0.50) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL781239 | 0.75 | GAA (0.43) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL17607029 | 0.74 | CES2 (0.46) | CES2CES1GAAALDH1A1ALOX15 |
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-108024992-A | Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders | 艾其林医药公司 | 2018-05-11 | — | — | CN | disclosed |