Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6665960 | 0.97 | — | — | |
| SCHEMBL606320 | 0.97 | — | — | |
| SCHEMBL888528 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| SCHEMBL17937883 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Octane SCHEMBL8328270 | 0.92 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Heptane SCHEMBL8332734 | 0.92 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Cyclopentane SCHEMBL8333113 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Dimethylamine SCHEMBL9007041 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Cyclohexane SCHEMBL8329975 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Alcohol SCHEMBL8828863 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4CA2 |
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-5080830-A | Water-dispersible compositions comprised of quaternary ammonium compounds | AKZO N.V. (NL) | 1992-01-14 | — | — | US | disclosed |