Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23458167 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C19NCEH1HTR1D | |
| SCHEMBL23458009 | 0.82 | ATM (0.37) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL29862382 | 0.82 | ATM (0.37) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL29919720 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL23458230 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL23457936 | 0.77 | ELANE (0.41) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL29862036 | 0.77 | TSHR (0.48) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL23458223 | 0.77 | TSHR (0.48) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL29862150 | 0.77 | ELANE (0.41) | CYP1A2CYP2D6CYP2C19NCEH1ATM | |
| SCHEMBL23457987 | 0.76 | CYP2A6 (0.38) | CYP1A2CYP2D6CYP2C19NCEH1MAPT |
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-4069807-A1 | METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS | Sicpa Holding SA (CH) | 2022-10-12 | — | — | EP | disclosed |
| EP-4069806-A1 | METHOD OF MARKING A PETROLEUM HYDROCARBON | Sicpa Holding SA (CH) | 2022-10-12 | — | — | EP | disclosed |