Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.46 |
| ▸ | PPARD | Q03181 | 6/20 | 0.46 |
| ▸ | PPARA | Q07869 | 6/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29088738 | 0.94 | DNM1 (0.47) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL455072 | 0.92 | CES2 (0.45) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL457603 | 0.92 | CES2 (0.45) | CES2CES1DNM1GPR84PPARG | |
| Hydrochloric Acid SCHEMBL16538158 | 0.90 | CES2 (0.43) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL395604 | 0.83 | CES2 (0.48) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL7236399 | 0.83 | CES2 (0.48) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL29409483 | 0.83 | FABP3 (0.54) | PPARGPPARDPPARATDP1FABP4 | |
| SCHEMBL15056103 | 0.82 | DNM1 (0.50) | CES2CES1DNM1GPR84PPARG | |
| SCHEMBL30130866 | 0.82 | DNM1 (0.50) | CES2CES1DNM1GPR84PPARG | |
| Hydrochloric Acid SCHEMBL28933231 | 0.81 | CES2 (0.42) | CES2CES1GPR84PPARGPPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730405-A4 | AMPHIPHILIC DERIVATIVES OF GUANIDINE | MEGABIOS CORP (US) | 1997-02-19 | — | — | EP | disclosed |
| EP-0730405-A1 | AMPHIPHILIC DERIVATIVES OF GUANIDINE | MEGABIOS CORPORATION (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014381-A1 | AMPHIPHILIC DERIVATIVES OF GUANIDINE | MEGABIOS CORPORATION (US) | 1995-06-01 | — | — | WO | disclosed |