Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 6/20 | 0.44 |
| ▸ | HTR2B | P41595 | 6/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28217657 | 0.91 | MAP1LC3B (0.42) | KDM1AHTR2CHTR2BBRD4HTR2A | |
| SCHEMBL26834590 | 0.80 | KDM1A (0.41) | KDM1AHTR2CHTR2BHTR2ASLC6A2 | |
| SCHEMBL22052752 | 0.80 | KDM1A (0.41) | KDM1AHTR2CHTR2BHTR2ASLC6A2 | |
| SCHEMBL17892133 | 0.78 | KDM1A (0.59) | KDM1AHTR2CHTR2BBRD4HTR2A | |
| SCHEMBL31389967 | 0.77 | CHRNB4 (0.43) | HTR2CCHRNB4CHRNA3 | |
| SCHEMBL10046437 | 0.77 | KDM1A (0.50) | KDM1AHTR2CHTR2BBRD4HTR2A | |
| SCHEMBL29427088 | 0.77 | KDM1A (0.50) | KDM1AHTR2CHTR2BBRD4HTR2A | |
| SCHEMBL19781088 | 0.75 | TP53 (0.47) | KDM1AHTR2CHTR2BBRD4HTR2A | |
| SCHEMBL31389850 | 0.74 | KDM1A (0.50) | KDM1AHTR2CHTR2BRCOR1CHRNB4 | |
| SCHEMBL18573855 | 0.74 | TP53 (0.50) | HTR2CHTR2BHTR2AHRH3 |
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-108017643-A | A kind of efficient IDO/TDO double inhibitors containing azacyclo- helical structure | 中国科学院上海有机化学研究所 | 2018-05-11 | — | — | CN | disclosed |