Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | NPC1 | O15118 | 10/20 | 0.51 |
| ▸ | RAB9A | P51151 | 10/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28497132 | 0.86 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28493807 | 0.82 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28504945 | 0.81 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28492902 | 0.81 | NPC1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL6452385 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28501254 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28501271 | 0.81 | MERTK (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28488632 | 0.80 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28504949 | 0.80 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28492972 | 0.80 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E |
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-108218848-B | Trifluoromethyl pyridine bisoxadiazole (ether) derivative and application thereof | 贵州大学 | 2020-12-18 | — | — | CN | disclosed |