Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4411960 | 1.00 | ALDH1A1 (0.57) | ALDH1A1LMNAPDE4BMTNR1AMTNR1B | |
| SCHEMBL4277119 | 1.00 | ALDH1A1 (0.57) | ALDH1A1LMNAPDE4BMTNR1AMTNR1B | |
| SCHEMBL4406395 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAPDE4BMTNR1AMTNR1B | |
| SCHEMBL3130467 | 0.94 | ALDH1A1 (0.64) | ALDH1A1LMNAPDE4BMTNR1AMTNR1B | |
| SCHEMBL12587 | 0.87 | MTNR1A (0.59) | ALDH1A1LMNAPDE4BMTNR1AMTNR1B | |
| SCHEMBL12685624 | 0.86 | MTNR1A (0.56) | ALDH1A1LMNAMTNR1AMTNR1BNPC1 | |
| SCHEMBL21102181 | 0.85 | PLA2G4B (0.53) | ALDH1A1FFAR1PPARANPC1RAB9A | |
| SCHEMBL5172139 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNAMTNR1AMTNR1BNPC1 | |
| SCHEMBL21101991 | 0.84 | ALDH1A1 (0.50) | ALDH1A1LMNAMTNR1AMTNR1BNPC1 | |
| SCHEMBL21102989 | 0.84 | ALDH1A1 (0.50) | ALDH1A1LMNAMTNR1AMTNR1BNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2046736-B1 | ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2019-06-12 | — | — | EP | disclosed |