Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | CDC14B | O60729 | 8/20 | 0.35 |
| ▸ | CDC14A | Q9UNH5 | 8/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.32 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5046429 | 0.88 | CDC14B (0.32) | MAOACDC14BCDC14AKDM5A | |
| Trifluoromethanesulfonic Acid SCHEMBL6879347 | 0.85 | MAOA (0.56) | MAOAEGFRKDM5ACYP3A4PTGS2 | |
| Trifluoromethanesulfonic Acid SCHEMBL5046279 | 0.79 | MAOA (0.35) | MAOACDC14BCDC14ACYP1A2CYP3A4 | |
| Dibenzofuran SCHEMBL21611805 | 0.75 | MAOA (0.48) | MAOACDC14BCDC14ACYP1A2CYP3A4 | |
| Trifluoromethanesulfonic Acid SCHEMBL6881212 | 0.72 | CYP2A6 (0.42) | MAOACDC14BCDC14ACYP3A4CYP2A6 | |
| SCHEMBL9851906 | 0.72 | MAOA (0.64) | MAOAEGFRKDM5ACYP3A4CYP2D6 | |
| SCHEMBL9349902 | 0.71 | ALOX5 (0.46) | MAOAKDM5ACYP3A4CYP2C19ALOX5 | |
| Trifluoromethanesulfonic Acid SCHEMBL6249524 | 0.70 | CYP1A2 (0.41) | CYP1A2KDM4EPTPN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3519717 | 0.70 | MAOA (0.33) | MAOACDC14BCDC14AALDH1A1 | |
| SCHEMBL3519718 | 0.69 | PTGES2 (0.32) | MAOACDC14BCDC14AKDM4ENPC1 |
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-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |