Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674143 | 0.93 | TSHR (0.77) | TSHRALDH1A1TAAR1HRH3CNR2 | |
| Hydrochloric Acid SCHEMBL6441361 | 0.91 | TSHR (0.74) | TSHRALDH1A1TAAR1HRH3CNR2 | |
| SCHEMBL81248 | 0.91 | HRH3 (0.65) | TSHRALDH1A1HRH3CNR2KDM4E | |
| Water SCHEMBL5507580 | 0.89 | HRH3 (0.62) | TSHRALDH1A1HRH3CNR2KDM4E | |
| Iodide SCHEMBL21693881 | 0.89 | HRH3 (0.62) | TSHRALDH1A1HRH3CNR2KDM4E | |
| Fluoride SCHEMBL11307410 | 0.89 | HRH3 (0.62) | TSHRALDH1A1HRH3CNR2KDM4E | |
| SCHEMBL26686938 | 0.89 | HRH3 (0.70) | TSHRALDH1A1TAAR1HRH3CNR2 | |
| Bromide SCHEMBL11663269 | 0.89 | HRH3 (0.62) | TSHRALDH1A1HRH3CNR2KDM4E | |
| Hydrochloric Acid SCHEMBL890978 | 0.89 | HRH3 (0.62) | TSHRALDH1A1HRH3CNR2KDM4E | |
| Ethylene SCHEMBL28212464 | 0.86 | HRH3 (0.60) | TSHRALDH1A1HRH3CNR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5053546-A | Hexamaphtho-hexaoxa (-imina,-thea)-1,8-diborabicyclo (6,6,6) eicosahexanes; ligands; adducts; catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-01 | — | — | US | disclosed |