Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27266927 | 0.87 | CYP17A1 (0.33) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL27267923 | 0.80 | KCNA5 (0.35) | ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL27276185 | 0.78 | CYP19A1 (0.35) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| Pyridine SCHEMBL27267301 | 0.72 | TDP1 (0.37) | GSK3B | |
| SCHEMBL27325119 | 0.69 | LTA4H (0.31) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| Pyridine SCHEMBL27266528 | 0.68 | TDP1 (0.36) | — | |
| SCHEMBL27275820 | 0.67 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL10501501 | 0.64 | PDE3B (0.41) | ALDH1A1POLBMAPTKDM4EPKM | |
| SCHEMBL6502832 | 0.61 | SMN1; SMN2 (0.46) | ALDH1A1POLBMAPT | |
| Hexane SCHEMBL28651456 | 0.60 | CYP51A1 (0.43) | CYP51A1ALDH1A1POLBMAPTKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031264-C | Preparation of 1,3-dihydro-4-pyridoyl-2H-imidazol-2-ones | MERRELL DOW PHARMA (US) | 1996-03-13 | — | — | CN | disclosed |
| CN-1019197-B | Preparation of 1-3-dihydro-4-pyridinoacyl-2H-imidazol-2-ones | MERRELL DOW PHARMACEVTICALS IN (US) | 1992-11-25 | — | — | CN | disclosed |
| CN-1057261-A | The preparation of 1-3-dihydro-4-pyridine acyl-2H-imidazole-2-ketone compound | MERRELL DOW PHARMACOUTICALS IN (US) | 1991-12-25 | — | — | CN | disclosed |
| CN-1055737-A | The preparation of 1-3-dihydro-4-pyridine acyl-2H-imidazole-2-ketone compound | MERRELL DOW PHARMA (US) | 1991-10-30 | — | — | CN | disclosed |
| CN-85106722-A | Preparation of 1, 3-dihydro-4-pyridinoacyl-2H-imidazol-2-ones | — | 1987-03-25 | — | — | CN | disclosed |