Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CRHBP | P24387 | 2/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29361235 | 0.76 | ABCG2 (0.39) | ABCG2TSHRPKMLMNACRHBP | |
| SCHEMBL31634143 | 0.76 | ABCG2 (0.39) | ABCG2TSHRPKMLMNACRHBP | |
| SCHEMBL7481318 | 0.76 | ABCG2 (0.39) | ABCG2MAOAMAOBTSHRPKM | |
| SCHEMBL12043582 | 0.76 | MAP3K14 (0.41) | ABCG2MAOAMAOBTSHRPKM | |
| SCHEMBL6955296 | 0.76 | ABCG2 (0.39) | ABCG2TSHRPKMLMNACRHBP | |
| SCHEMBL31405445 | 0.74 | ABCG2 (0.34) | ABCG2 | |
| SCHEMBL23668349 | 0.73 | ABCG2 (0.37) | ABCG2 | |
| SCHEMBL4046832 | 0.73 | TRPA1 (0.37) | ABCG2TSHR | |
| SCHEMBL7394171 | 0.73 | PNMT (0.40) | ABCG2PNMT | |
| SCHEMBL19500892 | 0.73 | GABRA1 (0.38) | ABCG2MAOAMAOBTSHRCYP2D6 |
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-6749778-B2 | Process for the synthesis of organomagnesium compounds using catalysts | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2004-06-15 | — | — | US | disclosed |