Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.56 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.56 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.56 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.45 |
| ▸ | FDPS | P14324 | 3/20 | 0.45 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Pyrophosphoric Acid SCHEMBL3490171 | 0.86 | GABBR2 (0.56) | GABBR2GABBR1GABRR1LPAR3FDPS | |
| Pyrophosphoric Acid SCHEMBL1665875 | 0.86 | GABBR2 (0.56) | GABBR2GABBR1GABRR1LPAR3FDPS | |
| Pyrophosphoric Acid SCHEMBL1665877 | 0.86 | GABBR2 (0.56) | GABBR2GABBR1GABRR1LPAR3FDPS | |
| Butylamine SCHEMBL21981126 | 0.85 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSCYP1A2 | |
| Butylamine SCHEMBL4299245 | 0.85 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSCYP1A2 | |
| Butylamine SCHEMBL728279 | 0.85 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSCYP1A2 | |
| Hexadecane SCHEMBL10595076 | 0.82 | LPAR3 (0.62) | LPAR3FDPSLPAR1LPAR2SMPD1 | |
| Decane SCHEMBL10595072 | 0.82 | LPAR3 (0.62) | LPAR3FDPSLPAR1LPAR2SMPD1 | |
| Butylamine SCHEMBL28755797 | 0.82 | GABBR2 (0.62) | GABBR2GABBR1GABRR1FDPSCYP1A2 | |
| Butylamine SCHEMBL17784256 | 0.82 | GABBR2 (0.62) | GABBR2GABBR1GABRR1FDPSCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103124736-B | Functionalized fluoroalkyl fluorophosphate salts | MERCK PATENT GMBH (DE) | 2016-05-11 | — | — | CN | disclosed |
| CN-103124736-A | Functionalized fluoroalkyl fluorophosphate salts | MERCK PATENT GMBH | 2013-05-29 | — | — | CN | disclosed |