Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 3/20 | 0.52 |
| ▸ | CDK2 | P24941 | 3/20 | 0.52 |
| ▸ | CDK7 | P50613 | 2/20 | 0.52 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.52 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845174 | 0.91 | CDK7 (0.54) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7847808 | 0.89 | CDK7 (0.50) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7846977 | 0.87 | PRKAB2 (0.48) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7845502 | 0.83 | CDK2 (0.41) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL11606854 | 0.82 | CDK7 (0.50) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7835484 | 0.81 | CDK2 (0.40) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7848321 | 0.81 | CDK2 (0.40) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL23933214 | 0.81 | CDK7 (0.49) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL12953048 | 0.81 | PDE10A (0.57) | CDK9CDK2CDK7CDK13CDK12 | |
| SCHEMBL7847598 | 0.80 | CDK2 (0.44) | CDK9CDK2CDK7CDK13CDK12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019023654-A9 | DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019023654-A2 | DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-01-31 | — | — | WO | disclosed |
| EP-0714898-B1 | PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE | OTSUKA PHARMA CO LTD (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5707997-A | ANALGESICS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1998-01-13 | — | — | US | disclosed |
| EP-0714898-A1 | PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1996-06-05 | — | — | EP | disclosed |