Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | GGT1 | P19440 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11016334 | 0.87 | HSD17B10 (0.40) | PTGS2HSD17B10KDM4EALDH1A1TSHR | |
| SCHEMBL11239732 | 0.77 | CYP1A2 (0.33) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| Hydrochloric Acid SCHEMBL11016843 | 0.75 | KDM4E (0.37) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL11014182 | 0.73 | PNPO (0.36) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL11014722 | 0.72 | POLB (0.40) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL11013064 | 0.71 | KDM4E (0.34) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL11736194 | 0.70 | KDM4E (0.42) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| Hydrochloric Acid SCHEMBL11013110 | 0.70 | PNPO (0.33) | HSD17B10KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL25836926 | 0.70 | PTGS2 (0.58) | PTGS2HSD17B10KDM4EALDH1A1TSHR | |
| SCHEMBL11736210 | 0.68 | KDM4E (0.40) | HSD17B10KDM4EALDH1A1HPGDLMNA |
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 5 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 |