Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28554150 | 0.82 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL28565276 | 0.80 | MAPT (0.41) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL28558882 | 0.79 | MAPT (0.41) | SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL28659589 | 0.78 | BIRC5 (0.57) | KMT2AMAPTBIRC5 | |
| SCHEMBL29962872 | 0.78 | GAA (0.51) | SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL28557365 | 0.78 | GAA (0.51) | SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL28560810 | 0.78 | MAT2A (0.38) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL20887041 | 0.76 | BIRC5 (0.59) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL28563669 | 0.74 | MAT2A (0.48) | LMNAALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL28553902 | 0.74 | MAT2A (0.45) | ALDH1A1MAPTNPSR1AGTR1GAA |
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-109942542-B | Preparation method of 3- (1, 3-diene-2-yl) isoquinoline-1 (2H) -ketone compound | 南开大学 | 2021-05-07 | — | — | CN | disclosed |