Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 7/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 6/20 | 0.41 |
| ▸ | GNRHR | P30968 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13401178 | 0.91 | CACNA1B (0.53) | CACNA1BNR1I2GNRHRNPC1GAA | |
| SCHEMBL13435714 | 0.84 | CACNA1B (0.47) | CACNA1BNR1I2GNRHRNPC1GAA | |
| SCHEMBL13401205 | 0.78 | CACNA1B (0.49) | CACNA1BNR1I2NPC1GAACNR2 | |
| SCHEMBL8143702 | 0.76 | CACNA1B (0.83) | CACNA1BNR1I2NPC1GAASMN1; SMN2 | |
| SCHEMBL8144031 | 0.68 | NR1I2 (0.67) | CACNA1BNR1I2NPC1GAACNR2 | |
| SCHEMBL8151080 | 0.68 | NR1I2 (0.56) | CACNA1BNR1I2NPC1GAASMN1; SMN2 | |
| SCHEMBL8157437 | 0.67 | CACNA1B (0.84) | CACNA1BNR1I2NPC1GAASMN1; SMN2 | |
| SCHEMBL8156552 | 0.67 | CACNA1B (1.00) | CACNA1BNR1I2NPC1GAASMN1; SMN2 | |
| SCHEMBL8150100 | 0.67 | NR1I2 (0.61) | CACNA1BNR1I2NPC1GAACNR2 | |
| SCHEMBL8150541 | 0.66 | CACNA1B (0.69) | CACNA1BNR1I2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008133867-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2008-11-06 | — | — | WO | disclosed |