Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19465642 | 0.86 | CYP1A2 (0.46) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL28926885 | 0.85 | CYP1A2 (0.45) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL29617345 | 0.85 | CYP1A2 (0.45) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL25301977 | 0.83 | CYP1A2 (0.44) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL29617347 | 0.83 | CYP1A2 (0.51) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL30522607 | 0.83 | CYP1A2 (0.44) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL28637793 | 0.83 | CYP1A2 (0.51) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL29617349 | 0.83 | CYP1A2 (0.51) | TSHRCYP1A2CYP2C19PIN1POLB | |
| SCHEMBL10742068 | 0.82 | TSHR (0.43) | TSHRPIN1MEN1NPC1KMT2A | |
| SCHEMBL28430986 | 0.82 | POLB (0.53) | TSHRCYP1A2POLBMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| CN-1309655-A | Cyclic compounds useful in treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions and preparation process | MERCK PATENT GMBH (DE) | 2001-08-22 | — | — | CN | disclosed |
| EP-1098893-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004011-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |