Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.70 |
| ▸ | LMNA | P02545 | 4/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.70 |
| ▸ | HTR1A | P08908 | 4/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.70 |
| ▸ | DRD2 | P14416 | 4/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.70 |
| ▸ | TP53 | P04637 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.70 |
| ▸ | HTR2A | P28223 | 3/20 | 0.70 |
| ▸ | HTR2C | P28335 | 3/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858868 | 1.00 | CYP2D6 (0.70) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL29724166 | 0.87 | CYP2D6 (0.71) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL8053156 | 0.87 | CYP2D6 (0.71) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL3770165 | 0.86 | PIM1 (0.66) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL30349813 | 0.86 | CYP2D6 (0.70) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| Nor2-Chlorpromazine SCHEMBL11202527 | 0.86 | LMNA (0.70) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL14292494 | 0.86 | LMNA (0.74) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL7066913 | 0.86 | CYP2D6 (0.70) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL21436140 | 0.86 | CYP2D6 (0.70) | CYP2D6CYP2C19LMNACYP1A2HTR1A | |
| SCHEMBL14292497 | 0.84 | LMNA (0.72) | CYP2D6CYP2C19LMNACYP1A2HTR1A |
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-118105488-A | Diagnosis and treatment prodrug for inducing tumor stem cell apoptosis as well as preparation method and application thereof | 东南大学 | 2024-05-31 | — | — | CN | disclosed |