Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28412668 | 0.90 | CA2 (0.67) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28412666 | 0.90 | CA2 (0.67) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28417100 | 0.86 | CA2 (0.76) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28412937 | 0.84 | CA2 (0.76) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL22138550 | 0.84 | CA2 (0.97) | CA2NPC1RAB9ACA1CA4 | |
| SCHEMBL28415518 | 0.83 | CA2 (0.64) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL22138549 | 0.83 | CA2 (1.00) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28417793 | 0.82 | CA2 (0.69) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28412650 | 0.81 | CA2 (0.68) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28412632 | 0.81 | CA2 (0.67) | CA2NPC1RAB9AALDH1A1HSD17B10 |
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-108117530-B | Propionamide thioether and sulfone derivatives and application thereof | 贵州大学 | 2020-06-19 | — | — | CN | disclosed |