Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30389776 | 1.00 | PIK3CD (0.59) | PIK3CDKDM4EMAPTMAPK1HSD17B10 | |
| SCHEMBL4772233 | 0.86 | MERTK (0.55) | PIK3CDKDM4EMAPTHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4769484 | 0.85 | MERTK (0.54) | PIK3CDKDM4EMAPTMAPK1HSD17B10 | |
| SCHEMBL4773119 | 0.82 | AHR (0.54) | PIK3CDKDM4EMAPTMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4770492 | 0.81 | MAPT (0.55) | PIK3CDKDM4EMAPTMAPK1TSHR | |
| SCHEMBL6001915 | 0.80 | PRKD1 (0.48) | PIK3CDKDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL11275047 | 0.79 | NCF1 (0.58) | PIK3CDKDM4EMAPTMAPK1HSD17B10 | |
| SCHEMBL11791112 | 0.79 | KDM4E (0.56) | PIK3CDKDM4EMAPTMAPK1TSHR | |
| SCHEMBL14926974 | 0.78 | ALDH1A1 (0.47) | PIK3CDKDM4EMAPTMAPK1HSD17B10 | |
| SCHEMBL30744833 | 0.77 | KDM4E (0.55) | PIK3CDKDM4EMAPTHSD17B10ALDH1A1 |
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-115960046-A | Preparation method of 1-amino substituted isoquinoline substances | 温州大学 | 2023-04-14 | — | — | CN | disclosed |