Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600305 | 0.87 | ALDH1A1 (0.39) | NPC1MAPTRAB9ASMN1; SMN2GFER | |
| SCHEMBL30349961 | 0.87 | ALDH1A1 (0.39) | NPC1MAPTRAB9ASMN1; SMN2GFER | |
| SCHEMBL28977434 | 0.83 | NPC1 (0.41) | NPC1MAPTRAB9ASMN1; SMN2GFER | |
| SCHEMBL17807759 | 0.81 | MIF (0.43) | NPC1MAPTRAB9AKDM4EALDH1A1 | |
| SCHEMBL16141180 | 0.81 | MIF (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16932252 | 0.80 | SIGMAR1 (0.41) | NPC1GFERALDH1A1KMT2AHPGD | |
| SCHEMBL30537990 | 0.80 | SIGMAR1 (0.41) | NPC1GFERALDH1A1KMT2AHPGD | |
| SCHEMBL11925002 | 0.80 | IDO1 (0.53) | ALDH1A1TP53IDO1 | |
| SCHEMBL14615589 | 0.80 | CD74 (0.49) | KMT2APOLBCD74MIFIDO1 | |
| SCHEMBL13164131 | 0.80 | CA12 (0.43) | SMN1; SMN2ALDH1A1KMT2AGAACA12 |
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-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |