Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14846571 | 1.00 | PARP1 (0.44) | PARP1PARP2HRH3IDH1TNKS | |
| SCHEMBL14924037 | 0.88 | ALDH1A1 (0.50) | PARP1PARP2HRH3IDH1TNKS | |
| SCHEMBL14847083 | 0.83 | HRH3 (0.47) | HRH3IDH1ALDH1A1LTA4H | |
| SCHEMBL4260843 | 0.81 | LMNA (0.57) | PARP1PARP2HRH3TNKSALDH1A1 | |
| SCHEMBL24307297 | 0.81 | HRH3 (0.45) | HRH3ALDH1A1 | |
| SCHEMBL12074554 | 0.80 | ALDH1A1 (0.56) | PARP1HRH3TNKSALDH1A1 | |
| SCHEMBL14924041 | 0.79 | LTA4H (0.52) | HRH3ALDH1A1LTA4HHTR2A | |
| SCHEMBL14847024 | 0.79 | HRH3 (0.67) | HRH3ALDH1A1KDM4E | |
| SCHEMBL1935806 | 0.79 | HRH3 (0.67) | HRH3ALDH1A1KDM4E | |
| SCHEMBL4591986 | 0.78 | KDM4E (0.57) | PARP1HRH3TNKSALDH1A1KDM4E |
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-2771337-B1 | 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-2771337-B1 | 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2017-08-02 | — | — | EP | disclosed |