Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL282439 | 0.89 | TSHR (0.52) | TSHRPPARDFFAR3TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL15439306 | 0.87 | TSHR (0.50) | TSHRPPARDFFAR3TDP1MEN1 | |
| SCHEMBL28021215 | 0.87 | TSHR (0.50) | TSHRPPARDFFAR3TDP1MEN1 | |
| SCHEMBL2298239 | 0.87 | TSHR (0.50) | TSHRPPARDFFAR3TDP1MEN1 | |
| Butane SCHEMBL2079484 | 0.85 | TSHR (0.48) | TSHRPPARDFFAR3TDP1MEN1 | |
| Ether SCHEMBL28022888 | 0.83 | TSHR (0.46) | TSHRPPARDFFAR3TDP1MEN1 | |
| SCHEMBL26927745 | 0.83 | TSHR (0.50) | TSHRPPARDTDP1MEN1KMT2A | |
| Propene SCHEMBL28006041 | 0.80 | TSHR (0.43) | TSHRPPARDTDP1MEN1LMNA | |
| Acrylic Acid SCHEMBL28624578 | 0.78 | TSHR (0.41) | TSHRPPARDTDP1MEN1LMNA | |
| SCHEMBL712616 | 0.74 | TSHR (0.50) | TSHRPPARDTDP1MAPTHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |