Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894100 | 0.78 | HTR2A (0.41) | HTR2AHTR2CALKBH5FTOFABP4 | |
| SCHEMBL31454929 | 0.76 | HTR2A (0.43) | HTR2AHTR2CALKBH5FTOFABP4 | |
| SCHEMBL30168069 | 0.76 | MEN1 (0.35) | ALKBH5FTOALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL30168080 | 0.73 | MAOB (0.44) | HTR2AHTR2CFABP4CYP2A6CYP1A2 | |
| SCHEMBL9428481 | 0.73 | TSHR (0.46) | HTR2AHTR2CALKBH5FTOALDH1A1 | |
| SCHEMBL30168076 | 0.73 | HTR2A (0.37) | HTR2AHTR2CHTR7CYP2A6CYP1A2 | |
| SCHEMBL25662730 | 0.72 | HTR2A (0.44) | HTR2AHTR2CALKBH5FTOFABP4 | |
| SCHEMBL9429365 | 0.72 | FABP4 (0.56) | FABP4ALDH1A1KDM4E | |
| SCHEMBL13714631 | 0.71 | HTR7 (0.46) | ALDH1A1HTR7GRM1 | |
| SCHEMBL8170195 | 0.70 | ATP4A (0.48) | ALKBH5FTOALDH1A1HTR7KDM4E |
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-113582993-B | Condensed polycyclic compound containing triazahydronaphthalene structure and preparation method and application thereof | 广州大学 | 2022-04-19 | — | — | CN | disclosed |