Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.46 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.46 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.46 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.46 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.46 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.46 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.46 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.46 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.46 |
| ▸ | PSMB6 | P28072 | 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 | |
|---|---|---|---|---|
| SCHEMBL30460643 | 1.00 | CYP2C9 (0.52) | CYP2C9ALDH1A1CYP2C19CYP3A4TACR1 | |
| SCHEMBL30460504 | 0.83 | CYP3A4 (0.57) | CYP2C9ALDH1A1CYP2C19CYP3A4FKBP1A | |
| SCHEMBL30460584 | 0.83 | CYP3A4 (0.57) | CYP2C9ALDH1A1CYP2C19CYP3A4FKBP1A | |
| SCHEMBL30460501 | 0.83 | CYP3A4 (0.57) | CYP2C9ALDH1A1CYP2C19CYP3A4FKBP1A | |
| SCHEMBL30460513 | 0.83 | CYP3A4 (0.57) | CYP2C9ALDH1A1CYP2C19CYP3A4FKBP1A | |
| SCHEMBL30460492 | 0.82 | HTT (0.60) | ALDH1A1FKBP1ALMNAGAATSHR | |
| SCHEMBL30460573 | 0.82 | HTT (0.60) | ALDH1A1FKBP1ALMNAGAATSHR | |
| SCHEMBL29648894 | 0.82 | LMNA (0.53) | CYP2C9ALDH1A1CYP2C19TACR1LMNA | |
| SCHEMBL28562068 | 0.82 | LMNA (0.53) | CYP2C9ALDH1A1CYP2C19TACR1LMNA | |
| SCHEMBL29648999 | 0.80 | NAMPT (0.52) | CYP2C9ALDH1A1CYP2C19TACR1LMNA |
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-2023090853-A1 | NOVEL UREA-BASED OR CARBAMATE-BASED P2X7 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MAJOR DEPRESSIVE DISORDER, COMPRISING SAME AS ACTIVE INGREDIENT | 고려대학교 세종산학협력단 | 2023-05-25 | — | — | WO | disclosed |