Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PNPO | Q9NVS9 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11016843 | 0.81 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| SCHEMBL11013154 | 0.81 | ACHE (0.33) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| SCHEMBL11011501 | 0.79 | PDXK (0.35) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11459700 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11014309 | 0.78 | KDM4E (0.35) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| SCHEMBL11010754 | 0.77 | PTGS2 (0.38) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11013064 | 0.77 | KDM4E (0.34) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| SCHEMBL11014182 | 0.77 | PNPO (0.36) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| SCHEMBL11736194 | 0.76 | KDM4E (0.42) | CYP1A2CYP2D6CYP2C19HIF1APNPO | |
| Hydrochloric Acid SCHEMBL11013110 | 0.76 | PNPO (0.33) | CYP1A2CYP2D6CYP2C19HIF1APNPO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4217352-A | ANTIARTHRITIC AGENT | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4144342-A | ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4061759-A | ANTIINFLAMMATORY, ARTHRITIS | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |