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 |
| ▸ | RHEB | Q15382 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | 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 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL28503563 | 0.90 | ALDH1A1 (0.63) | ALDH1A1PDE6DALDH2ALDH3A1RHEB | |
| SCHEMBL28505411 | 0.87 | DRD2 (0.66) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL14382294 | 0.86 | PDE2A (0.61) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15568178 | 0.85 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL6169195 | 0.85 | TNF (0.62) | BRD4RAB9AHDAC1HDAC6HSD17B10 | |
| SCHEMBL2884309 | 0.85 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1RHEB | |
| SCHEMBL15568695 | 0.85 | TP53 (0.70) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL6170384 | 0.84 | HDAC1 (0.57) | ALDH1A1RHEBMAPTRAB9AHDAC1 | |
| SCHEMBL6475293 | 0.82 | ALDH1A1 (0.68) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL28508255 | 0.82 | BRD4 (0.52) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 |
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 |