Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL29720434 | 0.86 | BCHE (0.44) | EGFRERBB2BCHEACHEALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720286 | 0.85 | ACHE (0.47) | BCHEACHEGPR3KDM4ECA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720389 | 0.85 | CA1 (0.42) | EGFRERBB2BCHEACHEALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1130292 | 0.84 | KDM4E (0.59) | BCHEACHEALDH1A1GPR3KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL4894043 | 0.84 | ACHE (0.37) | EGFRERBB2BCHEACHEALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720379 | 0.83 | ALDH1A1 (0.46) | BCHEACHEALDH1A1TDP1CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1455736 | 0.82 | PKM (0.46) | EGFRERBB2BCHEACHEALDH1A1 | |
| SCHEMBL7774985 | 0.81 | KDM4E (0.54) | ACHEALDH1A1KDM4ETDP1PSMD14 | |
| Trifluoromethanesulfonic Acid SCHEMBL31031307 | 0.81 | TDP1 (0.42) | ACHEALDH1A1GPR3KDM4ETDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29720398 | 0.74 | GPR3 (0.46) | ACHEALDH1A1GPR3KDM4ETDP1 |
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 |