Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5470869 | 0.88 | TDP1 (0.50) | ALDH1A1PAOXTDP1HDAC1HDAC2 | |
| SCHEMBL24127773 | 0.86 | PAOX (0.45) | TSHRALDH1A1PAOXEPHX1ADH1B | |
| SCHEMBL17265955 | 0.82 | CA12 (0.46) | ALDH1A1PAOXALOX15TDP1CASP2 | |
| SCHEMBL2628445 | 0.79 | PAOX (0.50) | TSHRALDH1A1PAOXEPHX1ALOX15 | |
| SCHEMBL22336404 | 0.79 | GAA (0.50) | TSHRALDH1A1PAOXEPHX1ALOX15 | |
| SCHEMBL290510 | 0.79 | AKR1B1 (0.54) | TSHRALDH1A1ALOX15TDP1HDAC1 | |
| SCHEMBL3027507 | 0.78 | MAPT (0.57) | TSHRALDH1A1EPHX1S1PR2S1PR4 | |
| Butanone SCHEMBL27943570 | 0.78 | ALDH1A1 (0.53) | TSHRALDH1A1PAOXEPHX1ALOX15 | |
| Propionic Acid SCHEMBL25192879 | 0.78 | FFAR3 (0.53) | TSHRALDH1A1PAOXEPHX1ALOX15 | |
| SCHEMBL14567195 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651956-A1 | SECONDARY AMINOSILANES | Sika Technology AG (CH) | 2013-10-23 | — | — | EP | claimed |
| WO-2012080266-A1 | SECONDARY AMINOSILANES | SIKA TECHNOLOGY AG (CH) | 2012-06-21 | — | — | WO | claimed |