Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 12/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.58 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL899454 | 0.80 | SCN9A (0.64) | SCN9ASCN5ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL4972679 | 0.80 | CYP3A4 (0.51) | SCN9ADGAT2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL4975868 | 0.80 | CYP3A4 (0.48) | SCN9ADGAT2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL1260945 | 0.79 | SCN9A (0.65) | SCN9ASCN5ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9613259 | 0.79 | CYP3A4 (0.46) | SCN9ADGAT2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL6367996 | 0.76 | SCN9A (0.64) | SCN9ASCN5A | |
| SCHEMBL900323 | 0.76 | SCN9A (0.64) | SCN9ASCN5A | |
| SCHEMBL4806227 | 0.74 | CYP3A4 (0.69) | SCN9ADGAT2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL12051156 | 0.73 | SCN9A (0.51) | SCN9ASCN5A | |
| SCHEMBL899425 | 0.73 | SCN9A (0.60) | SCN9ASCN5A |
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-1727797-B1 | PROCESS FOR CROSS COUPLING INDOLES | BOEHRINGER INGELHEIM PHARMA (US) | 2012-05-30 | — | — | EP | disclosed |
| US-7332614-B2 | Process for cross coupling indoles | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2008-02-19 | — | — | US | disclosed |
| US-7332614-B2 | Process for cross coupling indoles | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2008-02-19 | — | — | US | disclosed |