Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208682 | 0.80 | CA12 (0.41) | TP53CA12CA1CA2CA7 | |
| SCHEMBL4286533 | 0.75 | ESR1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23028186 | 0.73 | CA12 (0.43) | TP53CA12CA1CA2CA7 | |
| SCHEMBL1857458 | 0.72 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9021597 | 0.69 | CA12 (0.46) | TP53CA12CA1CA2CA7 | |
| SCHEMBL11659047 | 0.68 | ATM (0.38) | TP53HSD17B10CTSDKMT2AMAPK1 | |
| SCHEMBL12427635 | 0.68 | HTT (0.50) | TP53CA12CA1CA2CA7 | |
| SCHEMBL30705345 | 0.67 | CA12 (0.47) | TP53CA12CA1CA2CA7 | |
| SCHEMBL11100795 | 0.67 | TP53 (0.53) | TP53CA12CA1CA2CA7 | |
| SCHEMBL2754166 | 0.67 | ESR1 (0.46) | CA12CA1CA2CA7CA9 |
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-1121363-A2 | 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-08-08 | — | — | EP | claimed |
| WO-2000021926-A2 | 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-04-20 | — | — | WO | claimed |