Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6587631 | 0.85 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3491410 | 0.83 | KMT2A (0.51) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28938578 | 0.82 | KMT2A (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL975512 | 0.82 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL14639240 | 0.81 | KMT2A (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL975510 | 0.80 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7665539 | 0.80 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL9976124 | 0.80 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27705873 | 0.80 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2306938 | 0.77 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE |
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-6380431-B1 | QUATERNARY AMMONIUM COMPOUND | NALCO CHEMICAL COMPANY | 2002-04-30 | — | — | US | disclosed |
| US-6344531-B1 | Fluorescent water-soluble polymers | NALCO CHEMICAL COMPANY | 2002-02-05 | — | — | US | disclosed |