Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.92 |
| ▸ | CA2 | P00918 | 13/20 | 0.92 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1645328 | 0.96 | CA1 (1.00) | CA1CA2PGRLMNAALDH1A1 | |
| SCHEMBL11708669 | 0.79 | CA1 (0.70) | CA1CA2PGRLMNAALDH1A1 | |
| SCHEMBL1645211 | 0.78 | CA1 (0.62) | CA1CA2LMNAALDH1A1GAA | |
| SCHEMBL4662975 | 0.78 | PGR (0.82) | PGRLMNAALDH1A1GAAMAPK1 | |
| SCHEMBL171658 | 0.78 | LMNA (0.79) | CA1CA2PGRLMNAALDH1A1 | |
| Phenylsulfamide SCHEMBL27994318 | 0.77 | CA1 (1.00) | CA1CA2ALDH1A1CA9CA12 | |
| Phenylsulfamide SCHEMBL253104 | 0.77 | CA1 (1.00) | CA1CA2ALDH1A1CA9CA12 | |
| SCHEMBL29031235 | 0.77 | PGR (0.85) | PGRLMNAALDH1A1GAAMAPK1 | |
| SCHEMBL9215868 | 0.76 | CA1 (0.66) | CA1CA2PGRLMNAALDH1A1 | |
| SCHEMBL21033853 | 0.76 | CA1 (0.66) | CA1CA2PGRLMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104844490-A | Method for greenly synthesizing isothiocyanate through two-step method | UNIV CHANGZHOU | 2015-08-19 | — | — | CN | disclosed |