Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR1F | P30939 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30040860 | 0.87 | HCAR3 (0.54) | KHKHTR1AHTR1BHTR1FHCAR3 | |
| SCHEMBL30174436 | 0.85 | HTR1A (0.43) | HTR1AHTR1BHTR1FHSD17B10KDM4E | |
| SCHEMBL24339264 | 0.85 | HTR1A (0.43) | HTR1AHTR1BHTR1FHSD17B10KDM4E | |
| SCHEMBL7419168 | 0.84 | HCAR3 (0.56) | KHKHTR1AHTR1BHTR1FHCAR3 | |
| SCHEMBL29491449 | 0.80 | KMO (0.42) | KHKTNKSTNKS2PTGER3 | |
| SCHEMBL18399007 | 0.77 | RXRA (0.56) | KHKHTR1AHTR1BHTR1FHCAR3 | |
| SCHEMBL30151185 | 0.77 | RXRA (0.56) | KHKHTR1AHTR1BHTR1FHCAR3 | |
| SCHEMBL21810403 | 0.77 | PIK3CD (0.41) | HTR1AHTR1BHTR1FPIK3CD | |
| SCHEMBL22358408 | 0.76 | KHK (0.44) | KHKHTR1AHTR1BHTR1FALDH1A1 | |
| SCHEMBL24338746 | 0.76 | PDE1B (0.41) | HTR1AHTR1BHTR1FPIK3CDALDH1A1 |
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-2022068772-A1 | BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 深圳信立泰药业股份有限公司 | 2022-04-07 | — | — | WO | disclosed |