Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | MLNR | O43193 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5396699 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL3443986 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL5415270 | 0.83 | CACNA1B (0.44) | LMNACCR5CACNA1BPYGLPYGM | |
| SCHEMBL22658644 | 0.83 | ADORA3 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL30873727 | 0.83 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL20801670 | 0.83 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7661495 | 0.83 | ADRA1A (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7661489 | 0.83 | ADRA1A (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL5417914 | 0.82 | CACNA1B (0.59) | CCR5CACNA1BPYGLPYGM | |
| SCHEMBL8403732 | 0.82 | MAPT (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT |
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-7247645-B2 | Dihydropyridine derivatives | AJINOMOTO CO., INC. (JP) | 2007-07-24 | — | — | US | disclosed |