Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 5/20 | 0.51 |
| ▸ | FAAH | O00519 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770614 | 0.81 | CES1 (0.66) | CES1FAAHALDH1A1HDAC8HDAC6 | |
| SCHEMBL1274684 | 0.81 | CES1 (0.73) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL28345545 | 0.78 | KEAP1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7808017 | 0.78 | KEAP1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7277718 | 0.76 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7460240 | 0.76 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL10709723 | 0.75 | ALDH1A1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL27385607 | 0.75 | KEAP1 (0.61) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| Phenyl Propionic Acid SCHEMBL27428011 | 0.73 | KEAP1 (0.79) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL5598351 | 0.73 | ALDH1A1 (0.61) | KEAP1CES1FAAHALDH1A1FFAR1 |
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-5006254-A | Extraction with halogenated beta-diketone | RHONE-POULENC CHIMIE (FR) | 1991-04-09 | — | — | US | disclosed |