Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.43 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.43 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | ADH1B | P00325 | 1/20 | 0.42 |
| ▸ | ADH1C | P00326 | 1/20 | 0.42 |
| ▸ | ADH1A | P07327 | 1/20 | 0.42 |
| ▸ | ADH4 | P08319 | 1/20 | 0.42 |
| ▸ | ADH7 | P40394 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18270932 | 0.98 | ALDH1A1 (0.46) | CASP2EPHX1ALDH1A1TSHRS1PR2 | |
| SCHEMBL10068437 | 0.79 | KDM4E (0.38) | ALDH1A1ZDHHC20ZDHHC2HDAC1HDAC2 | |
| SCHEMBL10068434 | 0.79 | KDM4E (0.38) | ALDH1A1ZDHHC20ZDHHC2HDAC1HDAC2 | |
| SCHEMBL12791721 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA | |
| SCHEMBL12791975 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA | |
| SCHEMBL12791965 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA | |
| SCHEMBL28856257 | 0.78 | HSP90AA1 (0.67) | CASP2EPHX1ALDH1A1TSHRS1PR2 | |
| SCHEMBL12791694 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA | |
| SCHEMBL12791889 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA | |
| SCHEMBL12791718 | 0.78 | CASP2 (0.74) | CASP2EPHX1NAAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160348848-A1 | ANTI-AGGLOMERANTS FOR CONTROLLING GAS HYDRATES | APERGY ESP SYSTEMS, LLC | 2016-12-01 | — | — | US | disclosed |
| US-9410073-B2 | Anti-agglomerants for controlling gas hydrates | ECOLAB USA INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20150148266-A1 | ANTI-AGGLOMERANTS FOR CONTROLLING GAS HYDRATES | ECOLAB USA INC. (US) | 2015-05-28 | — | — | US | disclosed |