Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31306435 | 0.84 | CES2 (0.48) | TSHRMAPK1CES2MGLLPNMT | |
| SCHEMBL62723 | 0.83 | TSHR (0.67) | TSHRMAPK1CES2MGLLPNMT | |
| Methyl Alcohol SCHEMBL9419583 | 0.80 | TSHR (0.58) | TSHRMAPK1CES2MGLLPNMT | |
| Fluoride SCHEMBL30661872 | 0.80 | TSHR (0.64) | TSHRMAPK1CES2MGLLPNMT | |
| SCHEMBL28126330 | 0.80 | TSHR (0.64) | TSHRMAPK1CES2MGLLPNMT | |
| SCHEMBL30252943 | 0.80 | TSHR (0.64) | TSHRMAPK1CES2MGLLPNMT | |
| SCHEMBL5698952 | 0.80 | TSHR (0.64) | TSHRMAPK1CES2MGLLPNMT | |
| Benzene SCHEMBL8568955 | 0.80 | TSHR (0.67) | TSHRMAPK1CES2MGLLACP3 | |
| SCHEMBL30553105 | 0.80 | TSHR (0.64) | TSHRMAPK1CES2MGLLPNMT | |
| SCHEMBL19265113 | 0.79 | TSHR (0.48) | TSHRMAPK1CES2MGLLPNMT |
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 4 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 | claimed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | claimed |
| 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 |