Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837204 | 0.84 | HPGD (0.41) | PARP1HSD17B10ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL918232 | 0.82 | PARP1 (0.35) | PARP1MEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL917490 | 0.78 | PARP1 (0.36) | PARP1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL2674415 | 0.78 | ALDH1A1 (0.35) | SSTR3MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL917835 | 0.74 | EEF2K (0.39) | MEN1KMT2AHSD17B10ALDH1A1KDM4E | |
| SCHEMBL917945 | 0.73 | ALDH1A1 (0.43) | PARP1MEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL14837202 | 0.72 | PARP1 (0.33) | PARP1 | |
| SCHEMBL31682200 | 0.69 | PDCD1LG2 (0.37) | MEN1KMT2AALDH1A1KDM4EMAPK1 | |
| SCHEMBL918070 | 0.68 | KDM4E (0.35) | PARP1MEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL14836947 | 0.63 | PARP1 (0.39) | PARP1KMT2ACYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |