Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10507363 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL2561565 | 0.73 | NPC1 (0.51) | HDAC3HDAC1HDAC2LMNA | |
| SCHEMBL2065279 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL4970157 | 0.73 | ALDH1A1 (0.89) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL17501646 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL3625694 | 0.72 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL8094692 | 0.72 | CA3 (0.31) | — | |
| SCHEMBL11759173 | 0.71 | ALDH1A1 (0.84) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL3634998 | 0.71 | ALDH1A1 (0.94) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 | |
| SCHEMBL14968385 | 0.71 | ALDH1A1 (0.84) | ALDH1A1MAPTL3MBTL1HDAC3HDAC1 |
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-6054615-A | Fluorinated quaternary ammonium salts | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-04-25 | — | — | US | disclosed |