Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | PDXK | O00764 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
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 SCHEMBL11013605 | 0.98 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| SCHEMBL11013494 | 0.84 | PDXK (0.46) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| SCHEMBL11010425 | 0.84 | PDXK (0.46) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| Bromide SCHEMBL11014439 | 0.83 | PDXK (0.45) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| SCHEMBL11008483 | 0.83 | PDXK (0.45) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| Hydrochloric Acid SCHEMBL11010591 | 0.83 | PDXK (0.45) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| Hydrochloric Acid SCHEMBL11014441 | 0.83 | PDXK (0.45) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| SCHEMBL10803937 | 0.82 | KDM4E (0.58) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| Hydrochloric Acid SCHEMBL11736001 | 0.81 | PDXK (0.44) | KDM4EALDH1A1HPGDHSD17B10PDXK | |
| Hydrochloric Acid SCHEMBL11014781 | 0.81 | PDXK (0.44) | KDM4EALDH1A1HPGDHSD17B10PDXK |
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 6 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 |