Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PDXK | O00764 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011501 | 0.92 | PDXK (0.35) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| Hydrochloric Acid SCHEMBL11015200 | 0.82 | PDXK (0.40) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11013728 | 0.82 | PDXK (0.40) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11013330 | 0.81 | PDXK (0.39) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11014634 | 0.81 | PDXK (0.39) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11014637 | 0.81 | PDXK (0.39) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11013682 | 0.81 | PDXK (0.53) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11011834 | 0.80 | PDXK (0.38) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11008822 | 0.79 | PDXK (0.38) | CYP1A2CYP2D6CYP2C19HIF1APDXK | |
| SCHEMBL11487495 | 0.79 | PDXK (0.38) | CYP1A2CYP2D6CYP2C19HIF1APDXK |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4546106-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1985-10-08 | — | — | US | disclosed |
| 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 |
| US-4053606-A | ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4033967-A | BACTERIOSTATS | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1977-07-05 | — | — | US | disclosed |