Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248863 | 0.90 | GAA (0.39) | ALDH1A1KMT2APOLBMGAMGAA | |
| SCHEMBL4769429 | 0.86 | ALDH1A1 (0.42) | ALDH1A1KMT2APOLBMGAMGAA | |
| SCHEMBL8960286 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL15653541 | 0.85 | MGAM (0.46) | ALDH1A1KMT2APOLBMGAMGAA | |
| SCHEMBL2295020 | 0.84 | TP53 (0.46) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL763361 | 0.84 | TP53 (0.46) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL10289783 | 0.84 | TP53 (0.46) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL13616930 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL4617750 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KMT2ATP53CYP3A4MEN1 | |
| SCHEMBL6900183 | 0.81 | TP53 (0.53) | ALDH1A1KMT2ATP53CYP3A4MEN1 |
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-5614486-A | DIETHYL 1,4-CYCLOHEXANEDICARBOXYLATE | FIRMENICH SA (CH) | 1997-03-25 | — | — | US | disclosed |