Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11683290 | 1.00 | CES2 (0.56) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11686911 | 0.95 | HTT (0.55) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11686901 | 0.95 | HTT (0.55) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11685143 | 0.94 | HTT (0.55) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11685151 | 0.94 | HTT (0.55) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL9859751 | 0.92 | HTT (0.60) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11683310 | 0.89 | CES2 (0.62) | CES2CES1HTTALDH1A1LMNA | |
| SCHEMBL11683312 | 0.89 | CES2 (0.62) | CES2CES1HTTALDH1A1LMNA | |
| SCHEMBL11684054 | 0.85 | CES2 (0.53) | CES2CES1AKR1C3AKR1C1 | |
| SCHEMBL11684052 | 0.85 | CES2 (0.53) | CES2CES1AKR1C3AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4038415-A | ENZYME INHIBITORS | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1977-07-26 | — | — | US | disclosed |
| US-4016223-A | Prostaglandin dehydrogenase inhibiting agents | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1977-04-05 | — | — | US | disclosed |