Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 11/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30581404 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL25258087 | 0.89 | ALDH1A1 (0.41) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL30581458 | 0.89 | ALDH1A1 (0.41) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL30586469 | 0.85 | CA2 (0.39) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL25259734 | 0.85 | CA2 (0.39) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL29036930 | 0.77 | NTRK1 (0.35) | KDM4ECSF1RNTRK1NTRK2 | |
| SCHEMBL25299930 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KMT2APOLBHTTPIK3R1 | |
| SCHEMBL30586461 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KMT2APOLBHTTPIK3R1 | |
| SCHEMBL25258958 | 0.76 | GAA (0.44) | ALDH1A1GLAKMT2AKDM4EGAA | |
| SCHEMBL30586455 | 0.76 | GAA (0.44) | ALDH1A1GLAKMT2AKDM4EGAA |
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 |