Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM6A | O15550 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GUSB | P08236 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13297698 | 0.83 | KDM6B (0.47) | NPC1KDM4EGAAALDH1A1HPGD | |
| SCHEMBL7729357 | 0.75 | NPC1 (0.59) | NPC1KDM4EGAARAB9AALDH1A1 | |
| SCHEMBL2838824 | 0.73 | ESR1 (0.44) | NPC1GAAALDH1A1HPGDSNCA | |
| SCHEMBL28336797 | 0.71 | CA14 (0.50) | NPC1KDM4ERAB9AALDH1A1HPGD | |
| SCHEMBL9364714 | 0.71 | ACHE (0.47) | NPC1RAB9ASMN1; SMN2SNCAGUSB | |
| SCHEMBL29188883 | 0.70 | NPC1 (0.37) | NPC1KDM4EGAARAB9AALDH1A1 | |
| SCHEMBL2800972 | 0.68 | ALDH1A1 (0.51) | NPC1KDM4ERAB9AALDH1A1HPGD | |
| SCHEMBL3793206 | 0.66 | ALDH1A1 (0.59) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7725034 | 0.64 | MAP4K4 (0.41) | NPC1KDM4EGAARAB9AALDH1A1 | |
| SCHEMBL6572102 | 0.64 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1HPGDSMN1; SMN2 |
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-117820250-A | Application of 2-amino-3- (5-mercapto-1, 3, 4-oxadiazole) phenol derivative in osteoporosis | 山东第一医科大学第一附属医院(山东省千佛山医院) | 2024-04-05 | — | — | CN | disclosed |