Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7847544 | 0.80 | TP53 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6210954 | 0.78 | THRB (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9021597 | 0.73 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24393532 | 0.70 | CA1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30705345 | 0.70 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8516410 | 0.70 | S1PR4 (0.41) | CA12CA1CA2CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28118612 | 0.68 | CA1 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8483409 | 0.67 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9524209 | 0.67 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| Acetic Acid SCHEMBL27619403 | 0.66 | CA1 (0.50) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383769-A4 | 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-08-03 | — | — | EP | disclosed |
| EP-1383769-A2 | 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002067654-A2 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-09-06 | — | — | WO | disclosed |