Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171798 | 0.81 | CYP1A2 (0.59) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| Hydrochloric Acid SCHEMBL362914 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| Hydrochloric Acid SCHEMBL1173192 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL1173430 | 0.77 | KMT2A (0.43) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL245200 | 0.77 | KMT2A (0.43) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL27498317 | 0.77 | MEN1 (0.53) | GAASMN1; SMN2PARP1MEN1KMT2A | |
| SCHEMBL3186037 | 0.74 | CA1 (0.41) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL21981930 | 0.74 | CYP2C19 (0.47) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL21981929 | 0.74 | CYP2C19 (0.47) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 | |
| SCHEMBL875111 | 0.74 | CA1 (0.43) | CYP1A2CYP2C19GAASMN1; SMN2PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012000933-A1 | 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-05 | — | — | WO | disclosed |