Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL27806404 | 1.00 | PARP1 (0.51) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL28944768 | 0.88 | PARP1 (0.54) | PARP1PARP2 | |
| SCHEMBL27823213 | 0.88 | PARP1 (0.54) | PARP1PARP2 | |
| SCHEMBL27814421 | 0.87 | PARP1 (0.55) | PARP1SIRT2TP53PARP2 | |
| Hydrochloric Acid SCHEMBL27637867 | 0.85 | PARP1 (0.54) | PARP1SIRT2TP53PARP2 | |
| SCHEMBL31424094 | 0.84 | ALDH1A1 (0.46) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL38652322 | 0.83 | PARP1 (0.41) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL3254494 | 0.80 | PARP1 (0.55) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL27851684 | 0.78 | PARP1 (0.41) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL28227059 | 0.78 | PARP1 (0.37) | PARP1KDM4EALDH1A1MAPTHPGD |
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 |