Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | PDE1C | Q14123 | 9/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE8A | O60658 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9876106 | 0.95 | NR1I2 (0.56) | NR1I2PDE1CSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9875975 | 0.87 | NR1I2 (0.57) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9874899 | 0.87 | NR1I2 (0.61) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9874889 | 0.86 | NR1I2 (0.58) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875415 | 0.84 | NR1I2 (0.51) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9879881 | 0.84 | NR1I2 (0.57) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875316 | 0.84 | TSHR (0.62) | NR1I2PDE1CSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9875606 | 0.83 | NR1I2 (0.56) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875706 | 0.83 | NR1I2 (0.56) | NR1I2PDE1CSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9875688 | 0.82 | NR1I2 (0.55) | NR1I2SMN1; SMN2CYP1A2CYP3A4ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5008279-A | Circulation-active fluoromethoxyphenyl dihydropyridine compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-16 | — | — | US | disclosed |