Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GSDMD | P57764 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.36 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PHGDH | O43175 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8663660 | 0.81 | — | — | |
| SCHEMBL96554 | 0.81 | — | — | |
| SCHEMBL10654749 | 0.80 | ALDH1A1 (0.42) | ALDH1A1ALDH2ABCB11HTTGSDMD | |
| Ditiocarb SCHEMBL28205344 | 0.78 | ABCB11 (0.65) | ALDH1A1ALDH2ABCB11HTTGSDMD | |
| Ammonia Solution, Strong SCHEMBL28157014 | 0.78 | CA12 (0.48) | ALDH1A1ALDH2ABCB11HTTGSDMD | |
| SCHEMBL2115642 | 0.78 | — | — | |
| Thioglycolic Acid SCHEMBL7143486 | 0.77 | FFAR3 (0.39) | ALDH1A1CYP1A2MAPTALOX15TSHR | |
| Ditiocarb SCHEMBL27701821 | 0.73 | ABCB11 (0.71) | ALDH1A1ALDH2ABCB11HTTGSDMD | |
| Propionic Acid SCHEMBL8965902 | 0.71 | FFAR3 (0.46) | ALDH1A1ALDH2ABCB11HTTGSDMD | |
| Thioglycolic Acid SCHEMBL10480223 | 0.71 | FFAR3 (0.42) | ALDH1A1ALDH2LMNAHPGDSLC6A3 |
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-6521028-B1 | Quaternary ammonium salts, particularly pyridinium and quinolinium salts. By preparing these salts in a solvent selected from the group consisting of propylene glycols, propylene glycol ethers and mixtures thereof, the production | HYDROCHEM INDUSTRIAL SERVICES, INC. | 2003-02-18 | — | — | US | claimed |