Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547891 | 0.85 | TSHR (0.64) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL9856659 | 0.80 | CACNA2D1 (0.66) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL11228264 | 0.78 | PTGS1 (0.50) | TSHRCYP2D6 | |
| SCHEMBL9619367 | 0.78 | TSHR (0.56) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL23996119 | 0.76 | TSHR (0.54) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL9389599 | 0.76 | TSHR (0.60) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL96275 | 0.76 | TSHR (0.54) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL15283729 | 0.76 | TSHR (0.60) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL9996023 | 0.76 | TSHR (0.60) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL24081254 | 0.76 | TSHR (0.48) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 |
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-5446203-A | Synthesis of haloenones and aryl or alkyl substituted enones or alkenes | NEW YORK UNIVERSITY (US) | 1995-08-29 | — | — | US | disclosed |