Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA4 | P22748 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28417793 | 0.91 | CA2 (0.69) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28412632 | 0.89 | CA2 (0.67) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28417100 | 0.88 | CA2 (0.76) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28409741 | 0.88 | CA2 (0.65) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28415518 | 0.87 | CA2 (0.64) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL22138549 | 0.86 | CA2 (1.00) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28409743 | 0.86 | CA2 (0.69) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL28415077 | 0.86 | CA2 (0.63) | CA2NPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL22138550 | 0.85 | CA2 (0.97) | CA2NPC1RAB9ACA1CA4 | |
| SCHEMBL28412650 | 0.85 | CA2 (0.68) | 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 |