Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HRH1 | P35367 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30726174 | 0.75 | PDK2 (0.34) | — | |
| SCHEMBL27788557 | 0.72 | MAPK1 (0.38) | HTR2A | |
| SCHEMBL30638075 | 0.71 | THRB (0.42) | THRBTDP1HDAC9AKR1C1ALDH1A1 | |
| SCHEMBL16150619 | 0.71 | THRB (0.42) | THRBTDP1HDAC9AKR1C1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL606903 | 0.69 | THRB (0.41) | THRBTDP1HDAC9AKR1C1ALDH1A1 | |
| SCHEMBL3136514 | 0.68 | ALDH1A1 (0.40) | THRBTDP1AKR1C1ALDH1A1 | |
| SCHEMBL22341280 | 0.68 | THRB (0.36) | THRBTDP1HDAC9AKR1C1ALDH1A1 | |
| SCHEMBL19283491 | 0.67 | PDK2 (0.34) | HDAC9ALDH1A1 | |
| SCHEMBL28824348 | 0.67 | THRB (0.38) | THRBTDP1HDAC9AKR1C1CXCR5 | |
| SCHEMBL10999638 | 0.66 | HDAC9 (0.46) | THRBTDP1HDAC9HTR2AHRH1 |
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-105764888-B | A kind of new 3 azabicyclos [3.1.0] hexame derivatives and its medical usage | 株式会社三和化学研究所 | 2018-04-06 | — | — | CN | disclosed |