Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | HTR2B | P41595 | 6/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GID4 | Q8IVV7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30317887 | 0.79 | HTR2A (0.39) | HTR2CHTR2BHTR2AHRH3 | |
| SCHEMBL30317875 | 0.79 | NOS3 (0.39) | HTR2CHTR2BKDM1ARCOR1HDAC4 | |
| SCHEMBL30317894 | 0.76 | HTR2C (0.41) | HTR2CHTR2BHTR2AMAP1LC3BL3MBTL1 | |
| SCHEMBL225642 | 0.70 | PARP1 (0.36) | KDM4EL3MBTL1 | |
| SCHEMBL15233622 | 0.70 | PARP1 (0.36) | HTR2A | |
| SCHEMBL1143179 | 0.70 | PARP1 (0.36) | HTR2A | |
| SCHEMBL10645737 | 0.69 | KDM1A (0.38) | KDM1ABRD4NPC1 | |
| SCHEMBL30317861 | 0.69 | NOS3 (0.41) | SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL30317872 | 0.69 | CYP19A1 (0.41) | KDM4EL3MBTL1NPC1 | |
| SCHEMBL30317873 | 0.69 | NOS3 (0.39) | HTR2CHTR2BHTR2AHRH3KDM1A |
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-110680813-B | Use of naphthoquinone derivatives as IDO1 and/or TDO inhibitors | 北京大学 | 2023-03-10 | — | — | CN | disclosed |