Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.56 |
| ▸ | PARP2 | Q9UGN5 | 6/20 | 0.56 |
| ▸ | TNKS | O95271 | 1/20 | 0.56 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.56 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.56 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.56 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.56 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.56 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL27827187 | 1.00 | PARP1 (0.56) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL28786224 | 0.86 | PARP1 (0.45) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL22031788 | 0.78 | PARP1 (0.54) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL27695187 | 0.77 | PARP1 (0.51) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL27871695 | 0.77 | PARP1 (0.48) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL30620546 | 0.76 | KDM4E (0.42) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL28945093 | 0.75 | PARP1 (0.39) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL28945092 | 0.75 | PARP1 (0.39) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL27806452 | 0.75 | PARP1 (0.47) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL27827184 | 0.75 | PARP1 (0.47) | PARP1PARP2TNKSPARP14PARP10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102471351-A | 2-carboxamide cyclosemicarbazides as PI3K inhibitors | NOVARTIS AG | 2012-05-23 | — | — | CN | disclosed |
| CN-101952282-A | Thiazole derivatives as PI 3 kinase inhibitors | NOVARTIS AG | 2011-01-19 | — | — | CN | disclosed |
| CN-101939319-A | Bis-thiazole derivatives, process for their preparation and their use as medicaments | NOVARTIS AG | 2011-01-05 | — | — | CN | disclosed |