Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.60 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 4/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102059 | 0.78 | KDM1A (0.53) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| SCHEMBL15766835 | 0.77 | KDM1A (0.97) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| SCHEMBL15766833 | 0.77 | KDM1A (0.97) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| SCHEMBL15780125 | 0.77 | KDM1A (0.97) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| SCHEMBL12188964 | 0.76 | MAOB (0.50) | KDM1AHTR2CDDB1CRBNCA1 | |
| SCHEMBL13888944 | 0.76 | MAOB (0.50) | KDM1AHTR2CDDB1CRBNCA1 | |
| SCHEMBL23781847 | 0.76 | HTR2C (0.48) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL15768051 | 0.76 | KDM1A (1.00) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL15768052 | 0.76 | KDM1A (1.00) | KDM1ARCOR1HTR2CHTR2AHTR2B | |
| SCHEMBL28885396 | 0.76 | KDM1A (0.51) | KDM1ARCOR1HTR2CDDB1CRBN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |