Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 4/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10576401 | 0.92 | SCD (0.48) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10578118 | 0.87 | SCD (0.46) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10576972 | 0.87 | SMN1; SMN2 (0.44) | CYP2C9CYP2C19CYP1A2CYP3A4KDM4E | |
| SCHEMBL10571914 | 0.84 | SCD (0.42) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10579000 | 0.84 | CYP2C9 (0.43) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10578948 | 0.83 | KDM4E (0.43) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10574691 | 0.80 | KDM4E (0.43) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10576976 | 0.79 | SLC2A1 (0.50) | CYP2C9CYP2C19CYP1A2CYP3A4KDM4E | |
| SCHEMBL10578129 | 0.79 | SCD (0.55) | SCDKDM4EALDH1A1HPGDPKN1 | |
| SCHEMBL10578748 | 0.79 | KDM4E (0.51) | SCDCYP2C9CYP2C19CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4882342-A | CARDIOVASCULAR DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1989-11-21 | — | — | US | claimed |
| US-4882342-A | CARDIOVASCULAR DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1989-11-21 | — | — | US | disclosed |
| EP-0266558-A2 | 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them | Roche Diagnostics GmbH (DE) | 1988-05-11 | — | — | EP | disclosed |