Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | SORD | Q00796 | 5/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP4 | P49662 | 1/20 | 0.47 |
| ▸ | CASP5 | P51878 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL30635502 | 1.00 | GBA1 (0.55) | GBA1CXCR4SORDCASP1CASP4 | |
| SCHEMBL8549105 | 0.98 | GBA1 (0.56) | GBA1CXCR4SORDCASP1CASP4 | |
| SCHEMBL1088608 | 0.90 | HRH4 (0.59) | GBA1SORDCASP1HRH4HRH3 | |
| SCHEMBL29519526 | 0.88 | CASP1 (0.67) | GBA1CASP1CASP4CASP5ACHE | |
| SCHEMBL28637136 | 0.88 | CASP1 (0.67) | GBA1CASP1CASP4CASP5ACHE | |
| SCHEMBL20000530 | 0.88 | PIK3CA (0.51) | GBA1SORDACHECCNT1CCNA2 | |
| SCHEMBL1089215 | 0.87 | MAPT (0.60) | GBA1SORDCASP1CASP5ACHE | |
| SCHEMBL7347812 | 0.86 | GBA1 (0.51) | GBA1CXCR4SORDCASP1CASP4 | |
| SCHEMBL9031427 | 0.86 | GBA1 (0.54) | GBA1CXCR4SORDCASP1CASP4 | |
| SCHEMBL19725018 | 0.85 | PIK3CA (0.49) | GBA1ACHECCNT1CCNA2CDK2 |
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-103664884-A | Tyrosine kinase inhibitor for nitrogen hetero-aromatic ring and derivatives thereof | KBP BIOSCIENCES CO LTD | 2014-03-26 | — | — | CN | disclosed |