Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 3/20 | 0.32 |
| ▸ | ADH1C | P00326 | 3/20 | 0.32 |
| ▸ | ADH1A | P07327 | 3/20 | 0.32 |
| ▸ | ADH7 | P40394 | 3/20 | 0.32 |
| ▸ | ADH4 | P08319 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9171978 | 0.95 | TSHR (0.39) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL28358059 | 0.93 | TSHR (0.37) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL10304506 | 0.93 | TSHR (0.37) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL9245830 | 0.90 | TSHR (0.39) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL5682325 | 0.89 | ALDH1A1 (0.33) | TSHRFDPSALDH1A1 | |
| SCHEMBL8955012 | 0.86 | FDPS (0.34) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL9220588 | 0.85 | TSHR (0.44) | TSHRFDPSADH1BADH1CADH1A | |
| SCHEMBL276807 | 0.85 | TSHR (0.36) | TSHRSMN1; SMN2FDPSADH1BADH1C | |
| SCHEMBL9578451 | 0.79 | FDPS (0.38) | FDPS | |
| SCHEMBL2009418 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008084046-A1 | PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES | BASF SE (DE) | 2008-07-17 | — | — | WO | disclosed |
| EP-0381040-B1 | METHOD FOR THE PREPARATION OF 2,2-DIALKYLPROPIONALDEHYDES | BASF Aktiengesellschaft (DE) | 1993-03-31 | — | — | EP | disclosed |
| US-5012006-A | Hydroformylation of 1,1-dialkylethylenes in presence of cobalt carbonyl complex catalysts, water-containing solvents or lactones or sulfones | BASF AKTIENGESELLSCHAFT (DE) | 1991-04-30 | — | — | US | disclosed |
| EP-0381040-A2 | Method for the preparation of 2,2-dialkylpropionaldehydes | BASF Aktiengesellschaft (DE) | 1990-08-08 | — | — | EP | disclosed |