Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL26267232 | 0.82 | HDAC1 (0.59) | HDAC1HDAC8HDAC6ALDH1A1MAOB | |
| SCHEMBL6808117 | 0.80 | HDAC8 (0.46) | HDAC1HDAC8HDAC6ALDH1A1ACHE | |
| SCHEMBL23911919 | 0.78 | CYP2A6 (0.48) | HDAC6TYRALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL470309 | 0.77 | HRH3 (0.56) | HDAC6TYRALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2043393 | 0.75 | HRH3 (0.61) | HDAC8HDAC6ALDH1A1ALDH1A3ALDH3A1 | |
| Hydrochloric Acid SCHEMBL5778800 | 0.75 | HRH3 (0.54) | HDAC6TYRALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8484118 | 0.74 | ACHE (0.52) | ALDH1A1CYP2A6LMNASMN1; SMN2ACHE | |
| SCHEMBL819942 | 0.74 | HDAC1 (0.52) | HDAC1HDAC8HDAC6CYP2A6MAPT | |
| SCHEMBL8252038 | 0.74 | HDAC1 (0.52) | HDAC1HDAC8HDAC6ALDH1A1CYP2A6 | |
| SCHEMBL13480470 | 0.73 | CYP2A6 (0.48) | HDAC6TYRALDH1A1ALDH1A3ALDH3A1 |
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-1551841-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009602-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |