Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 12/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7376396 | 0.88 | CACNA1B (0.42) | CACNA1BCACNA1CCACNA1HCACNA1GDHODH | |
| SCHEMBL4033463 | 0.81 | PARP1 (0.43) | — | |
| SCHEMBL7378251 | 0.73 | CACNA1B (0.38) | CACNA1BCACNA1CCACNA1HCACNA1GHTT | |
| SCHEMBL30139028 | 0.72 | PTGES (0.40) | DHODHSMN1; SMN2 | |
| SCHEMBL26631562 | 0.72 | PTGES (0.40) | DHODHSMN1; SMN2 | |
| SCHEMBL7154842 | 0.72 | PARP1 (0.42) | CYP2C9 | |
| SCHEMBL22935779 | 0.71 | NPSR1 (0.48) | HTTSMN1; SMN2NPSR1 | |
| SCHEMBL7145208 | 0.68 | BCHE (0.38) | SMN1; SMN2CYP2C9 | |
| SCHEMBL6951344 | 0.68 | PARP1 (0.43) | — | |
| SCHEMBL15808917 | 0.68 | PRMT5 (0.41) | HTTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1176958-A4 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | MERCK & CO INC (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1176958-A1 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | Merck & Co., Inc. (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000066120-A1 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | MERCK & CO., INC. (US) | 2000-11-09 | — | — | WO | disclosed |