Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 15/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401537 | 1.00 | CACNA1B (0.46) | CACNA1BCYP2C9CYP1A2KDM4EMEN1 | |
| SCHEMBL7299610 | 0.90 | CACNA1B (0.44) | CACNA1BCYP1A2MEN1CYP3A4CYP2C19 | |
| SCHEMBL9401568 | 0.90 | CACNA1B (0.44) | CACNA1BCYP1A2MEN1CYP3A4CYP2C19 | |
| SCHEMBL7299621 | 0.90 | CACNA1B (0.44) | CACNA1BCYP1A2MEN1CYP3A4CYP2C19 | |
| SCHEMBL7299355 | 0.89 | CYP1A2 (0.56) | CACNA1BCYP2C9CYP1A2KDM4EMEN1 | |
| SCHEMBL7299361 | 0.89 | CYP1A2 (0.56) | CACNA1BCYP2C9CYP1A2KDM4EMEN1 | |
| SCHEMBL9401702 | 0.88 | CACNA1B (0.59) | CACNA1BMEN1KMT2ANR1I2NR3C1 | |
| SCHEMBL9401706 | 0.88 | CACNA1B (0.59) | CACNA1BMEN1KMT2ANR1I2NR3C1 | |
| SCHEMBL9401634 | 0.88 | PDE1C (0.54) | CACNA1BCYP1A2MEN1CYP3A4CYP2C19 | |
| SCHEMBL9401631 | 0.88 | PDE1C (0.54) | CACNA1BCYP1A2MEN1CYP3A4CYP2C19 |
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-5286869-A | Vasodilators and anticoagulants | FUJIREBIO KABUSHIKI KAISHA (JP) | 1994-02-15 | — | — | US | disclosed |
| EP-0403957-A2 | Optical active 1,4-dihydropyridine derivates | FUJIREBIO INC. (JP) | 1990-12-27 | — | — | EP | disclosed |