Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9874889 | 0.99 | NR1I2 (0.58) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9876072 | 0.87 | NR1I2 (0.53) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL10517163 | 0.86 | NR1I2 (0.47) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL10516190 | 0.85 | NR1I2 (0.48) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9874899 | 0.84 | NR1I2 (0.61) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875988 | 0.84 | NR1I2 (0.61) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9876106 | 0.84 | NR1I2 (0.56) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875491 | 0.84 | NR1I2 (0.60) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875509 | 0.84 | NR1I2 (0.60) | NR1I2MAPTCYP1A2CYP3A4ADORA3 | |
| SCHEMBL9875415 | 0.82 | NR1I2 (0.51) | NR1I2MAPTCYP1A2CYP3A4ADORA3 |
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 |