Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27925036 | 0.90 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14722772 | 0.83 | TDP1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27832016 | 0.83 | MAPT (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9200552 | 0.82 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14723305 | 0.81 | TSHR (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6228338 | 0.76 | CA1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12482523 | 0.74 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL319947 | 0.73 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27667912 | 0.73 | CA12 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9921695 | 0.72 | TDP1 (0.59) | CA12CA1CA2CA7CA9 |
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-2838927-A2 | SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE | BASF SE (DE) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013156509-A2 | SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE | BASF SE (DE) | 2013-10-24 | — | — | WO | disclosed |