Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.43 |
| ▸ | DDO | Q99489 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4195099 | 0.87 | NPC1 (0.49) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL29493370 | 0.87 | NPC1 (0.49) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL9269321 | 0.81 | GRIK1 (0.56) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL4413986 | 0.79 | MTNR1A (0.53) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL31487774 | 0.79 | MTNR1A (0.53) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL5493171 | 0.79 | KDM4E (0.51) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL5515054 | 0.79 | GRIK1 (0.51) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL9121651 | 0.79 | FAAH (0.50) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL5894380 | 0.78 | GRIK1 (0.53) | GRIK1FLT3LMNANPC1RAB9A | |
| SCHEMBL3569428 | 0.77 | NPC1 (0.71) | FLT3LMNANPC1RAB9ASMN1; SMN2 |
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-102766083-A | 2-amino-3-perfluoro acetoindole compound and its derivative, preparation method and application thereof | SHANGHAI INST ORGANIC CHEM | 2012-11-07 | — | — | CN | disclosed |