Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 5/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.50 |
| ▸ | HTR3B | O95264 | 4/20 | 0.50 |
| ▸ | HTR3A | P46098 | 4/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30087959 | 0.90 | CHRNB2 (0.47) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| SCHEMBL689422 | 0.89 | HTR7 (0.62) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL4661519 | 0.87 | HTR7 (0.61) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| SCHEMBL5540575 | 0.79 | ADRB1 (0.80) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| SCHEMBL56706 | 0.77 | ADRB1 (0.75) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| SCHEMBL1353556 | 0.75 | MEN1 (0.52) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL1699410 | 0.75 | DHFR (0.50) | ALDH1A1MEN1KMT2AALOX5 | |
| Ammonia Solution, Strong SCHEMBL20512352 | 0.75 | ADRB1 (0.72) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL11019815 | 0.75 | ADRB1 (0.72) | HTR7ADRB1HTR1AHTR3EHTR3B | |
| Water SCHEMBL28163332 | 0.75 | ADRB1 (0.72) | HTR7ADRB1HTR1AHTR3EHTR3B |
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-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |