Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23458213 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL29862144 | 0.85 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL23458092 | 0.85 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL23457952 | 0.83 | CYP1A2 (0.36) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL29862416 | 0.83 | CYP1A2 (0.36) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL23457987 | 0.77 | CYP2A6 (0.38) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL29862163 | 0.77 | CYP2A6 (0.38) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL8584659 | 0.77 | CYP2A6 (0.41) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL14283527 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 | |
| SCHEMBL17065828 | 0.75 | MAPT (0.41) | CYP1A2CYP2D6ALDH1A1TDP1CYP2A6 |
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 |