Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPR3 | P17342 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878428 | 1.00 | TSHR (0.46) | TSHRLMNAALDH1A1HTTUSP2 | |
| SCHEMBL6875941 | 0.83 | NLRP3 (0.47) | TSHRGAAL3MBTL1ADRA2AMCHR1 | |
| SCHEMBL6875937 | 0.83 | NLRP3 (0.47) | TSHRGAAL3MBTL1ADRA2AMCHR1 | |
| SCHEMBL4028824 | 0.81 | MCHR1 (0.56) | TSHRLMNAADRA2AMCHR1HRH1 | |
| SCHEMBL4215618 | 0.81 | MCHR1 (0.56) | TSHRLMNAADRA2AMCHR1HRH1 | |
| SCHEMBL4028822 | 0.81 | MCHR1 (0.56) | TSHRLMNAADRA2AMCHR1HRH1 | |
| SCHEMBL6874615 | 0.81 | MAPK8 (0.45) | TSHRADRA2AMCHR1HRH1HTR2B | |
| SCHEMBL6874610 | 0.81 | MAPK8 (0.45) | TSHRADRA2AMCHR1HRH1HTR2B | |
| SCHEMBL6875598 | 0.80 | CYP2C9 (0.40) | TSHRUSP2GAACYP2C19CYP2C9 | |
| SCHEMBL6875594 | 0.80 | CYP2C9 (0.40) | TSHRUSP2GAACYP2C19CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |