Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | PDE6D | O43924 | 2/20 | 0.63 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.63 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.63 |
| ▸ | JAK2 | O60674 | 2/20 | 0.59 |
| ▸ | JAK1 | P23458 | 2/20 | 0.59 |
| ▸ | TYK2 | P29597 | 2/20 | 0.59 |
| ▸ | JAK3 | P52333 | 2/20 | 0.59 |
| ▸ | RHEB | Q15382 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 4/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503579 | 0.90 | ALDH1A1 (0.63) | ALDH1A1PDE6DALDH2ALDH3A1RHEB | |
| SCHEMBL2884309 | 0.85 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1RHEB | |
| SCHEMBL15568178 | 0.85 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL15568695 | 0.85 | TP53 (0.70) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL9662852 | 0.83 | PTGER4 (0.66) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL28507437 | 0.82 | PTGER4 (0.55) | ALDH1A1PDE6DALDH2ALDH3A1JAK2 | |
| SCHEMBL8233038 | 0.81 | NLRP3 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL594322 | 0.80 | ALDH1A1 (0.68) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL28547289 | 0.80 | ALDH1A1 (0.60) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL6171734 | 0.79 | PPARG (0.66) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107311933-B | Benzimidazole derivative, preparation method and application thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2020-12-22 | — | — | CN | disclosed |