Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5168025 | 1.00 | LTA4H (0.49) | LTA4HHRH3HRH1HRH4CYP3A4 | |
| Hydrochloric Acid SCHEMBL4742878 | 0.78 | POLB (0.49) | LTA4HHTR6CRBN | |
| SCHEMBL22456442 | 0.76 | POLB (0.56) | LTA4HHTR6HTR2CIDO1TDO2 | |
| SCHEMBL10132546 | 0.76 | POLB (0.56) | LTA4HHTR6HTR2CIDO1TDO2 | |
| SCHEMBL26448460 | 0.75 | HTR2C (0.51) | HRH3HRH1HRH4CYP3A4CYP2D6 | |
| SCHEMBL10794749 | 0.75 | LTA4H (0.51) | LTA4HCRBN | |
| SCHEMBL9078944 | 0.74 | POLB (0.57) | LTA4HHRH1CYP3A4CYP2D6CYP2C19 | |
| Bromide SCHEMBL10799026 | 0.74 | LTA4H (0.50) | LTA4HCRBN | |
| SCHEMBL4307734 | 0.74 | LTA4H (0.58) | LTA4H | |
| SCHEMBL4307738 | 0.74 | LTA4H (0.58) | LTA4H |
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-6790842-B1 | 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | disclosed |