Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | LIG1 | P18858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5207693 | 0.85 | PTGS2 (0.47) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL5207689 | 0.83 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19921069 | 0.81 | MAPK1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5209305 | 0.80 | CA12 (0.48) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL5239038 | 0.80 | TSHR (0.49) | CA12CA1CA9SLC6A4LIG1 | |
| SCHEMBL14030895 | 0.77 | HTT (0.68) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL3800333 | 0.76 | HPGD (0.55) | CA12CA1CA9SLC6A4LIG1 | |
| SCHEMBL28532068 | 0.75 | KDM4E (0.60) | SLC6A4LIG1TSHRHTTLMNA | |
| SCHEMBL28745794 | 0.74 | HPGD (0.40) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL5209451 | 0.74 | PTGS2 (0.44) | PTGS2CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1194146-B1 | ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES | MERCK & CO INC (US) | 2006-07-19 | — | — | EP | disclosed |
| EP-1194146-A4 | ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES | MERCK & CO INC (US) | 2002-07-31 | — | — | EP | disclosed |
| US-6399640-B1 | ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| EP-1194146-A1 | ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| US-6200998-B1 | PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK & CO., INC. | 2001-03-13 | — | — | US | disclosed |
| WO-2000078312-A1 | ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES | MERCK & CO., INC. (US) | 2000-12-28 | — | — | WO | disclosed |
| US-6008237-A | POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS | MERCK & CO., INC. (US) | 1999-12-28 | — | — | US | disclosed |