Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 2/20 | 0.36 |
| ▸ | ADH1C | P00326 | 2/20 | 0.36 |
| ▸ | ADH1A | P07327 | 2/20 | 0.36 |
| ▸ | ADH7 | P40394 | 2/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL12707435 | 1.00 | TSHR (0.48) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| Ammonia Solution, Strong SCHEMBL28945137 | 0.98 | TSHR (0.46) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL15378599 | 0.91 | ALDH1A1 (0.56) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| Hydrochloric Acid SCHEMBL21048103 | 0.89 | ALDH1A1 (0.54) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL12707478 | 0.88 | TSHR (0.52) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL19293338 | 0.88 | TSHR (0.52) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL1231151 | 0.85 | — | — | |
| Butanol SCHEMBL8998098 | 0.85 | TSHR (0.53) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| Isopropyl Alcohol SCHEMBL29165543 | 0.85 | TSHR (0.58) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL366208 | 0.84 | ALDH1A1 (0.44) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210998-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2017-08-30 | — | — | EP | disclosed |