Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | QPCT | Q16769 | 1/20 | 0.47 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.47 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10247217 | 0.78 | SMN1; SMN2 (0.62) | ALDH1A1HMOX2TBXAS1CYP19A1CYP11B1 | |
| SCHEMBL21076446 | 0.78 | MGLL (0.62) | ALDH1A1HMOX2KDM4EAHRNPSR1 | |
| Hydrochloric Acid SCHEMBL411425 | 0.77 | SMN1; SMN2 (0.61) | ALDH1A1HMOX2TBXAS1CYP19A1CYP11B1 | |
| Biphenyl SCHEMBL27824074 | 0.75 | ALDH1A1 (0.76) | ALDH1A1HMOX2CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL11635603 | 0.74 | TBXAS1 (0.58) | ALDH1A1HMOX2TBXAS1CYP1A2CYP3A4 | |
| SCHEMBL11238973 | 0.73 | HMOX2 (0.64) | ALDH1A1HMOX2TBXAS1CYP19A1CYP11B1 | |
| SCHEMBL20830350 | 0.72 | HMOX2 (0.49) | ALDH1A1HMOX2TBXAS1CYP19A1CYP11B1 | |
| SCHEMBL1509735 | 0.72 | CYP19A1 (0.71) | ALDH1A1TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL77978 | 0.72 | — | — | |
| SCHEMBL11131296 | 0.71 | CYP19A1 (0.70) | TBXAS1CYP19A1CYP11B1CYP11B2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002067654-A3 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-10-31 | — | — | WO | claimed |
| 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 |
| WO-2002067654-A3 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-10-31 | — | — | WO | disclosed |