Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8797927 | 0.80 | KMT2A (0.47) | KDM4EALDH1A1GAAPKMMAPT | |
| SCHEMBL8797726 | 0.78 | CHRNA7 (0.48) | KDM4EALDH1A1GAA | |
| SCHEMBL8796974 | 0.77 | CHRNA7 (0.45) | KDM4EALDH1A1GAATDP1 | |
| SCHEMBL8655149 | 0.74 | CHRNA7 (0.47) | KDM4EALDH1A1GAATDP1CYP3A4 | |
| SCHEMBL8657345 | 0.72 | CACNA1B (0.38) | KDM4EALDH1A1CACNA1B | |
| SCHEMBL8650566 | 0.71 | ADORA3 (0.43) | KDM4EALDH1A1GAACYP3A4CYP2C9 | |
| SCHEMBL8797115 | 0.71 | CHRNA7 (0.50) | KDM4EALDH1A1GAACYP3A4CYP2C9 | |
| SCHEMBL8796956 | 0.70 | CHRNA7 (0.49) | KDM4EALDH1A1GAACYP3A4CYP2C9 | |
| SCHEMBL10367116 | 0.70 | CACNA1B (0.50) | KDM4EALDH1A1GAATDP1CYP3A4 | |
| SCHEMBL8797447 | 0.69 | CHRNA7 (0.46) | KDM4EALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5843950-A | 1,4-dihydropyridine compound and pharmaceutical composition containing the same | NIKKEN CHEMICALS CO., LTD. (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0801065-A1 | 1,4-DIHYDROPYRIDINE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME | Nikken Chemicals Company, Limited (JP) | 1997-10-15 | — | — | EP | disclosed |