Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7960252 | 0.82 | TSHR (0.64) | TSHRSLC6A3SLC6A2SLC6A4SLC18A3 | |
| SCHEMBL7973709 | 0.78 | TSHR (0.64) | TSHRSLC6A3SLC6A2SLC6A4ADRA2A | |
| SCHEMBL15424419 | 0.75 | TSHR (0.40) | TSHRSLC6A3SLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL11185193 | 0.74 | TSHR (0.53) | TSHRSLC6A3SLC6A2SLC6A4SLC18A3 | |
| SCHEMBL28862831 | 0.70 | — | — | |
| Hydrogen Peroxide SCHEMBL28927927 | 0.70 | TSHR (0.94) | TSHRSLC6A3SLC6A2SLC6A4ADRA2A | |
| SCHEMBL5072064 | 0.69 | TSHR (0.55) | TSHRSLC6A3SLC6A2SLC6A4SLC18A3 | |
| SCHEMBL12747477 | 0.69 | MEN1 (0.48) | TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL15573155 | 0.69 | MEN1 (0.48) | TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4074394 | 0.69 | MEN1 (0.48) | TSHRMEN1KMT2AL3MBTL1 |
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-2684880-A1 | DISPIROPYRROLIDINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-01-15 | — | — | EP | disclosed |