Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 8/20 | 0.44 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RORA | P35398 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
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 SCHEMBL29720286 | 0.89 | ACHE (0.47) | CA2CA1ACHEBCHELMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL29720335 | 0.83 | EGFR (0.41) | ALDH1A1CA2CA1ACHEBCHE | |
| Trifluoromethanesulfonic Acid SCHEMBL29720434 | 0.83 | BCHE (0.44) | ALDH1A1CA2CA1ACHEBCHE | |
| SCHEMBL13276018 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CA2CA1ACHEBCHE | |
| Trifluoromethanesulfonic Acid SCHEMBL29720389 | 0.82 | CA1 (0.42) | ALDH1A1CA2CA1ACHEBCHE | |
| Trifluoromethanesulfonic Acid SCHEMBL1130292 | 0.81 | KDM4E (0.59) | ALDH1A1ACHEBCHETDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL31221635 | 0.81 | CA2 (0.41) | ALDH1A1CA2CA1ACHEBCHE | |
| Bromide SCHEMBL13275829 | 0.80 | CYP2D6 (0.48) | ALDH1A1CA2CA1ACHEBCHE | |
| Trifluoromethanesulfonic Acid SCHEMBL1455736 | 0.79 | PKM (0.46) | ALDH1A1CA2CA1ACHEBCHE | |
| Trifluoromethanesulfonic Acid SCHEMBL7620541 | 0.79 | CA2 (0.42) | ALDH1A1CA2CA1ACHEBCHE |
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 |