Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.47 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4428964 | 0.77 | ACMSD (0.77) | ACMSDALDH1A1HNF4AKDM4EMEN1 | |
| SCHEMBL5843815 | 0.74 | CYP3A4 (0.53) | ACMSDHSD17B14ALOX15MAPTDYRK1A | |
| SCHEMBL28173338 | 0.73 | ACMSD (0.77) | ACMSDALDH1A1HNF4ADHODHHIPK4 | |
| SCHEMBL1513514 | 0.73 | ABL1 (0.47) | ALDH1A1MAPTCES2BCHECES1 | |
| SCHEMBL26832646 | 0.71 | ALDH1A1 (0.50) | ACMSDALDH1A1ALOX15MAPTDYRK1A | |
| SCHEMBL9276928 | 0.71 | ESR2 (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL27764929 | 0.71 | MKNK1 (0.46) | ACMSDHSD17B14ALDH1A1MAPTCES2 | |
| SCHEMBL104744 | 0.70 | CES2 (0.68) | ALDH1A1ALOX15MAPTCES2BCHE | |
| SCHEMBL13263254 | 0.70 | WDR5 (0.47) | ALDH1A1MAPTCES2BCHECES1 | |
| SCHEMBL19452779 | 0.69 | PGR (0.44) | DYRK1APLK4MAPK13DAPK3PRKD3 |
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 8 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-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | 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-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |