Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811519 | 0.89 | ALDH1A1 (0.46) | ALDH1A1HDAC2FAAHNOD1ACHE | |
| SCHEMBL11217895 | 0.87 | ALDH1A1 (0.51) | ALDH1A1FAAHNOD1GRIK1SLC1A2 | |
| SCHEMBL3160513 | 0.86 | ALDH1A1 (0.50) | ALDH1A1FAAHNOD1MAPT | |
| SCHEMBL614517 | 0.84 | ALDH1A1 (0.36) | ALDH1A1FAAHMAPTSMN1; SMN2HPGD | |
| SCHEMBL16703745 | 0.81 | FOLH1 (0.34) | ALDH1A1GGT1MAPTSMN1; SMN2 | |
| SCHEMBL910825 | 0.81 | FOLH1 (0.52) | SLC6A3GAA | |
| SCHEMBL16703747 | 0.81 | FOLH1 (0.34) | ALDH1A1GGT1MAPTSMN1; SMN2 | |
| SCHEMBL30787971 | 0.81 | GGT1 (0.43) | ALDH1A1GGT1GRIK1GRIK2MAPT | |
| SCHEMBL910826 | 0.81 | FOLH1 (0.52) | SLC6A3GAA | |
| SCHEMBL910807 | 0.81 | FOLH1 (0.52) | SLC6A3GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0277624-A2 | A composition comprising the addition product of a vinyl sulfone dye and a secondary amine and process for dyeing a polyamide therewith | HOECHST CELANESE CORPORATION (US) | 1988-08-10 | — | — | EP | disclosed |
| US-4762524-A | Composition comprising the addition product of a vinyl-sulfone dye and a secondary amine and process for dyeing a polyamide therewith | HOECHST CELANESE CORPORATION (US) | 1988-08-09 | — | — | US | disclosed |
| US-4082792-A | SECONDARY ALKYL PRIMARY AMINE, ALKENOIC ACID, PRIMARY OR SECONDARY ALCOHOL | TEXACO INC. (US) | 1978-04-04 | — | — | US | disclosed |
| US-3976682-A | ALKYLAMMONIUM ALKYLAMINOALKANOATES, FREEZE-THAW ADDITIVE, CORROSION INHIBITOR, PIGMENT GRINDING | TEXACO INC. (US) | 1976-08-24 | — | — | US | disclosed |