Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28325408 | 1.00 | CA2 (0.44) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL10779767 | 0.98 | TP53 (0.42) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL3941155 | 0.98 | TP53 (0.42) | CA2CA1PPARAEPHX1TP53 | |
| Propene SCHEMBL28117056 | 0.90 | ZDHHC20 (0.39) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL9178677 | 0.87 | CA2 (0.43) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL9176403 | 0.87 | CA2 (0.43) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL9177001 | 0.87 | CA2 (0.43) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL356352 | 0.87 | CA2 (0.43) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL28141623 | 0.85 | TP53 (0.41) | CA2CA1PPARAEPHX1TP53 | |
| SCHEMBL15774303 | 0.80 | CA2 (0.47) | CA2CA1PPARAEPHX1TP53 |
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-3724251-A1 | IONIC HYDROPHILIZED POLYISOCYANATES, WATER CONTENT | Covestro Intellectual Property GmbH & Co. KG (DE) | 2020-10-21 | — | — | EP | disclosed |