Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718183 | 0.87 | HDAC1 (0.37) | HDAC1GRIN1GRIN2AHCAR3CACNA1H | |
| SCHEMBL4172587 | 0.87 | HCAR3 (0.40) | HDAC1GRIN1GRIN2AHCAR3CACNA1H | |
| SCHEMBL6986725 | 0.80 | HCAR3 (0.36) | HCAR3GBA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4023870 | 0.73 | HCAR3 (0.39) | HDAC1GRIN1GRIN2AHCAR3KMT2A | |
| SCHEMBL5045338 | 0.73 | ALDH1A1 (0.47) | ADORA2AADORA2BADORA1MEN1KMT2A | |
| SCHEMBL2562392 | 0.72 | POLB (0.51) | MEN1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3071006 | 0.72 | CACNA1H (0.47) | GRIN1GRIN2ACACNA1HMEN1KMT2A | |
| SCHEMBL10293562 | 0.71 | SMN1; SMN2 (0.37) | HCAR3GBA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14776875 | 0.71 | HDAC1 (0.33) | HDAC1HCAR3CXCR1CXCR2HDAC6 | |
| SCHEMBL15173773 | 0.70 | HCAR3 (0.38) | HDAC1HCAR3MEN1KMT2ACXCR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899323-A2 | PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS | AstraZeneca AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006123113-A2 | PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-11-23 | — | — | WO | disclosed |