Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26978084 | 1.00 | NPC1 (0.45) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL5891451 | 0.87 | HSP90AA1 (0.58) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL24714024 | 0.85 | HSD17B10 (0.61) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL31543553 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAMAPTCYP1A2 | |
| SCHEMBL26685699 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAMAPTCYP1A2 | |
| SCHEMBL151590 | 0.77 | ALDH1A1 (0.59) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL7804008 | 0.76 | NPC1 (0.46) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL10746200 | 0.75 | ALDH1A1 (0.57) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL10645339 | 0.74 | NPC1 (0.45) | NPC1ALDH1A1RAB9AHSD17B10KDM4E | |
| SCHEMBL31581577 | 0.74 | GAA (0.35) | NPC1ALDH1A1RAB9AKDM4EGAA |
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-116829550-A | Pyrimidine-2-ylsulfonamide derivatives | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |