Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 6/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL29720335 | 0.85 | EGFR (0.41) | CA1CA2CA12CA7CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720434 | 0.85 | BCHE (0.44) | CA1CA2CA12CA3CA6 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720286 | 0.83 | ACHE (0.47) | CA1CA2BCHEACHEKMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL1130292 | 0.83 | KDM4E (0.59) | CA12CA9KCNH2BCHEACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL29720379 | 0.82 | ALDH1A1 (0.46) | CA1CA2BCHEACHEALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1455736 | 0.81 | PKM (0.46) | CA1CA2CA12CA4CA5A | |
| SCHEMBL8380477 | 0.80 | KDM4E (0.54) | CA1CA2CA12CA3CA4 | |
| Trifluoromethanesulfonic Acid SCHEMBL31031307 | 0.80 | TDP1 (0.42) | CA1CA2KCNH2ACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL932070 | 0.78 | KDM4E (0.58) | CA1CA2CA12CA3CA4 | |
| Bromide SCHEMBL9333268 | 0.78 | KDM4E (0.52) | CA1CA2CA12CA3CA4 |
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-112321469-B | Synthetic method of dibenzyl sulfide | 成都理工大学 | 2022-07-12 | — | — | CN | disclosed |