Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.96 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL94809 | 0.98 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| SCHEMBL28217442 | 0.96 | ALDH1A1 (0.96) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| Acetic Acid SCHEMBL28664924 | 0.92 | ALDH1A1 (0.89) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| SCHEMBL3454377 | 0.89 | ALDH1A1 (0.82) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| Pyridine SCHEMBL19329206 | 0.87 | ALDH1A1 (0.79) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| SCHEMBL5446555 | 0.85 | ALDH1A1 (0.76) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| SCHEMBL11797344 | 0.83 | ALDH1A1 (0.74) | ALDH1A1EPHX1CYP1A2KDM4EGAA | |
| SCHEMBL29975055 | 0.83 | ALDH1A1 (0.74) | ALDH1A1KDM4ESMN1; SMN2HDAC8HDAC6 | |
| SCHEMBL6966315 | 0.80 | ALDH1A1 (0.69) | ALDH1A1EPHX1KDM4EGAAMEN1 | |
| SCHEMBL12262968 | 0.80 | ALDH1A1 (0.69) | ALDH1A1EPHX1CYP1A2KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022209269-A1 | POLYMERIZABLE DENTAL COMPOSITION | 株式会社ジーシー | 2022-10-06 | — | — | WO | disclosed |