Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20458589 | 0.86 | HDAC1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL20421676 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL20421663 | 0.73 | HDAC1 (0.61) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL20436311 | 0.71 | ABCC9 (0.48) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL28677805 | 0.69 | ALDH1A1 (0.78) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL20458608 | 0.69 | HDAC1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL30908462 | 0.67 | HDAC1 (0.54) | ALDH1A1KDM4EHTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL20436307 | 0.66 | ITGB3 (0.48) | ALDH1A1KDM4ECYP1A2CYP2C19ABCC9 | |
| SCHEMBL28554239 | 0.65 | ADORA3 (0.59) | CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL29512084 | 0.65 | NPC1 (0.57) | CYP1A2CYP2C19KCNJ11KMT2AMEN1 |
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-3358346-A1 | ENANTIOMER ANALYSIS METHOD | Ajinomoto Co., Inc. (JP) | 2018-08-08 | — | — | EP | disclosed |