Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8022121 | 1.00 | SCD (0.35) | SCDPTGS2MEN1KMT2ASPHK1 | |
| SCHEMBL8031342 | 1.00 | SCD (0.35) | SCDPTGS2MEN1KMT2ASPHK1 | |
| SCHEMBL8022103 | 1.00 | SCD (0.35) | SCDPTGS2MEN1KMT2ASPHK1 | |
| SCHEMBL8031473 | 1.00 | SCD (0.35) | SCDPTGS2MEN1KMT2ASPHK1 | |
| SCHEMBL6673303 | 0.91 | FAAH (0.36) | — | |
| SCHEMBL1734043 | 0.87 | CYP1A2 (0.36) | SCDMEN1KMT2ASPHK1SPHK2 | |
| SCHEMBL216893 | 0.87 | CYP1A2 (0.36) | SCDMEN1KMT2ASPHK1SPHK2 | |
| SCHEMBL6141492 | 0.87 | CYP1A2 (0.36) | SCDMEN1KMT2ASPHK1SPHK2 | |
| SCHEMBL1737855 | 0.87 | CYP1A2 (0.36) | SCDMEN1KMT2ASPHK1SPHK2 | |
| SCHEMBL3359696 | 0.87 | CYP1A2 (0.36) | SCDMEN1KMT2ASPHK1SPHK2 |
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-6042750-A | TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES | Docter, Joan (US) | 2000-03-28 | — | — | US | disclosed |