Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6914511 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| Potassium Ion SCHEMBL8104738 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL6916471 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL6912609 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL8877744 | 0.96 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL6912938 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL6915605 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| Zinc Ion SCHEMBL6914561 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL11182007 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 | |
| SCHEMBL6914866 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECLCN2GABRA1 |
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-4325838-A | COORDINATION COMPOUNDS, HALOGENS | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-04-20 | — | — | US | disclosed |