Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.46 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.46 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.46 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9886979 | 0.83 | RAB9A (0.50) | ALDH1A1TDP1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL30686627 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4RAB9ANPC1 | |
| SCHEMBL4142866 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4RAB9ANPC1 | |
| SCHEMBL589908 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4MAPTMAPK1 | |
| SCHEMBL12970736 | 0.77 | ABCB1 (0.50) | ALDH1A1TDP1CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL18988580 | 0.77 | L3MBTL1 (0.71) | ALDH1A1TDP1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL17776261 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL11188342 | 0.75 | L3MBTL1 (0.53) | ALDH1A1TDP1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5794741 | 0.75 | HPGD (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL1963579 | 0.75 | HTR6 (0.56) | ALDH1A1TDP1RAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0752451-B1 | The use of 4,5-dihydro-1H-1,2,3-triazolium cationic compounds as dyestuffs | BAYER AG (DE) | 2001-10-17 | — | — | EP | disclosed |