Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28957192 | 0.85 | TAS2R14 (0.46) | CYP2C9ALDH1A1TSHRLMNAGAA | |
| SCHEMBL28143221 | 0.81 | ALDH1A1 (0.54) | CYP2C9ALDH1A1TSHRSMN1; SMN2PTPN1 | |
| SCHEMBL2927951 | 0.80 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL7088401 | 0.79 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAGAANFKB1 | |
| SCHEMBL28326071 | 0.77 | MEN1 (0.43) | CYP2C9ALDH1A1LMNAGAAHPGD | |
| SCHEMBL28960373 | 0.73 | CYP2C9 (0.64) | CYP2C9ALDH1A1TSHRMAOBMEN1 | |
| SCHEMBL7768876 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNAGAANFKB1 | |
| SCHEMBL12264152 | 0.72 | ALDH1A1 (0.50) | CYP2C9ALDH1A1TSHRLMNAGAA | |
| SCHEMBL7088402 | 0.72 | CYP2C9 (0.49) | CYP2C9ALDH1A1TSHRLMNAGAA | |
| Benzylic Acid SCHEMBL7066 | 0.71 | CYP2C9 (0.74) | CYP2C9ALDH1A1TSHRLMNASMN1; 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 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 |