Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30586475 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CA2MAPTSIRT2SIRT1 | |
| SCHEMBL25297307 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA2MAPTSIRT2SIRT1 | |
| SCHEMBL30586473 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA2MAPTSIRT2SIRT1 | |
| SCHEMBL30586467 | 0.87 | JAK2 (0.50) | CA2KMT2ACA1CA4CA9 | |
| SCHEMBL25303981 | 0.87 | JAK2 (0.50) | CA2KMT2ACA1CA4CA9 | |
| SCHEMBL25253344 | 0.83 | CA2 (0.43) | ALDH1A1CA2MAPTMEN1KMT2A | |
| SCHEMBL30586476 | 0.83 | CA2 (0.43) | ALDH1A1CA2MAPTMEN1KMT2A | |
| SCHEMBL22382508 | 0.82 | SIRT2 (0.51) | ALDH1A1MAPTSIRT2SIRT1MEN1 | |
| SCHEMBL22382307 | 0.80 | KMT2A (0.63) | ALDH1A1MAPTSIRT2SIRT1MEN1 | |
| SCHEMBL25825922 | 0.79 | STING1 (0.64) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444544-A | Benzimidazole compound and medical application thereof | 中国科学院上海药物研究所 | 2023-07-18 | — | — | CN | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |