Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CACNA1D | Q01668 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11803207 | 0.89 | CA1 (0.50) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL11795742 | 0.86 | CACNA1D (0.58) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL9689480 | 0.84 | TSHR (0.43) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL11793306 | 0.84 | ALOX15 (0.54) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11799255 | 0.83 | CACNA1D (0.60) | CACNA1DKDM4EALDH1A1ADORA3GAA | |
| SCHEMBL14297933 | 0.81 | TBXA2R (0.67) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL11800413 | 0.80 | CACNA1D (0.51) | CACNA1DCYP2C9CYP3A4CYP2C19CACNA1C | |
| SCHEMBL11523639 | 0.80 | CYP2C9 (0.65) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL3017208 | 0.78 | CYP2C9 (0.73) | TSHRPOLBCACNA1DCYP2C9CYP3A4 | |
| SCHEMBL11524317 | 0.76 | KDM4E (0.73) | TSHRPOLBCACNA1DCYP2C9CYP3A4 |
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-4532248-A | Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |
| US-3989708-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |