Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.50 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.50 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.50 |
| ▸ | HPGDS | O60760 | 5/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.45 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL708792 | 0.92 | PARP1 (0.52) | PARP1TNK1TNK2HPGDSACKR3 | |
| SCHEMBL13285127 | 0.90 | PARP1 (0.48) | PARP1TNK1TNK2ACKR3 | |
| SCHEMBL6128547 | 0.89 | PARP1 (0.53) | PARP1TNK1TNK2HPGDSACKR3 | |
| SCHEMBL705982 | 0.89 | PARP1 (0.53) | PARP1TNK1TNK2HPGDSACKR3 | |
| SCHEMBL709447 | 0.83 | PARP1 (0.49) | PARP1TNK1TNK2ACKR3 | |
| SCHEMBL709766 | 0.82 | PARP1 (0.57) | PARP1 | |
| SCHEMBL708669 | 0.81 | PARP1 (0.44) | PARP1TNK1TNK2ACKR3 | |
| SCHEMBL709746 | 0.81 | PARP1 (0.51) | PARP1TNK1TNK2ACKR3 | |
| SCHEMBL709173 | 0.81 | PARP1 (0.48) | PARP1TNK1TNK2ACKR3SMO | |
| SCHEMBL706995 | 0.81 | PARP1 (0.48) | PARP1TNK1TNK2ACKR3SMO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010085570-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | WO | disclosed |