Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.46 |
| ▸ | FNTB | P49356 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31098669 | 0.94 | CYP1A2 (0.61) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL31098658 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL9877550 | 0.81 | CYP1A2 (0.71) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL8338146 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL12563573 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| Trifluoromethanesulfonic Acid SCHEMBL31098650 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL12563571 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| SCHEMBL12563583 | 0.78 | CYP1A2 (0.60) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| Trifluoromethanesulfonic Acid SCHEMBL31098733 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19KMT2AKDM4EHPGD | |
| Trifluoromethanesulfonic Acid SCHEMBL31098654 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19KMT2AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024196978-A2 | SULFONIUM COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2024-09-26 | — | — | WO | disclosed |