Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658941 | 0.81 | MAPT (0.47) | PTPN1ALDH1A1TSHRKCNN4CES1 | |
| SCHEMBL28326070 | 0.75 | ALDH1A1 (0.47) | PTPN1ALDH1A1TSHRCES1MAPT | |
| SCHEMBL31495940 | 0.73 | KMT2A (0.42) | PTPN1ALDH1A1TSHRKCNN4CES1 | |
| SCHEMBL5560839 | 0.69 | MAPT (0.47) | PTPN1ALDH1A1TSHRKCNN4CES1 | |
| SCHEMBL8059880 | 0.68 | CYP1A2 (0.46) | PTPN1ALDH1A1TSHRKCNN4CES1 | |
| SCHEMBL27680948 | 0.68 | TSHR (0.50) | PTPN1ALDH1A1TSHRKCNN4CA1 | |
| SCHEMBL3578202 | 0.67 | CES1 (0.52) | PTPN1CES1RAB9ALMNAPDK1 | |
| SCHEMBL3243938 | 0.66 | PTPN1 (0.48) | PTPN1ALDH1A1TSHRKCNN4CES1 | |
| SCHEMBL2927951 | 0.66 | CYP2C9 (0.50) | ALDH1A1KCNN4CYP1A2MAPTKMT2A | |
| SCHEMBL3629687 | 0.66 | CYP1A2 (0.50) | PTPN1ALDH1A1TSHRKCNN4CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104583208-B | Can be used for treating substituted 3,4-dihydro-2H-pyrido [1,2-a] pyrazine-1,6-derovatives of (especially) Alzheimer | 杨森制药公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-104583208-A | Substituted 3, 4-dihydro-2h-pyrido[1,2-a]pyrazine-1,6-dione derivatives useful for the treatment of (inter alia) alzheimer's disease | JANSSEN PHARMACEUTICALS INC | 2015-04-29 | — | — | CN | disclosed |