Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL28342507 | 0.84 | HTR2C (0.39) | HTR2AHTR2CHTR2BALDH1A1HTR6 | |
| SCHEMBL28339976 | 0.81 | ALDH1A1 (0.46) | CASP3ALDH1A1HTR6CHRM3 | |
| SCHEMBL28340054 | 0.79 | HTR2B (0.43) | HTR2AHTR2CHTR2BHTR6 | |
| SCHEMBL28342510 | 0.79 | TP53 (0.40) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL28339972 | 0.78 | HTR2C (0.41) | HTR2AHTR2CHTR2BHTR6 | |
| SCHEMBL28339974 | 0.75 | CES2 (0.42) | HTR2AHTR2CHTR2BALDH1A1LMNA | |
| SCHEMBL28342526 | 0.70 | KMT2A (0.57) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL28592923 | 0.65 | CASP3 (0.42) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL817533 | 0.65 | HTR2C (0.43) | HTR2C | |
| SCHEMBL30630593 | 0.64 | WEE1 (0.44) | CASP3HTR2AHTR2CHTR2B |
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-108912127-B | Benzo [ b, e ] azepine compound based on isatin skeleton and preparation method thereof | 青岛农业大学 | 2019-12-10 | — | — | CN | disclosed |