Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113325 | 0.82 | KDM4E (0.38) | KDM4EALDH1A1PARP1HSD17B10MAPT | |
| SCHEMBL28113320 | 0.80 | GBA1 (0.46) | KDM4EALDH1A1SMN1; SMN2GBA1PARP1 | |
| SCHEMBL15067435 | 0.77 | KDM4E (0.52) | KDM4EALDH1A1SMN1; SMN2HSD17B10TP53 | |
| SCHEMBL28235800 | 0.74 | ABCG2 (0.68) | KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL28640309 | 0.73 | ABCG2 (0.67) | KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL28145530 | 0.73 | ABCG2 (0.67) | KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL15069471 | 0.73 | GFER (0.52) | KDM4EALDH1A1SMN1; SMN2PARP1HSD17B10 | |
| SCHEMBL4101907 | 0.72 | HTR2C (0.54) | KDM4EALDH1A1SMN1; SMN2PARP1HSD17B10 | |
| SCHEMBL2486768 | 0.69 | KDM4E (0.49) | KDM4EALDH1A1SMN1; SMN2HSD17B10TP53 | |
| SCHEMBL6628829 | 0.69 | HTR2C (0.54) | KDM4EALDH1A1PARP1HSD17B10TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106083849-A | The quaternary condensed or five-membered ring pyrido phthalazone compounds as PARP inhibitor | 百济神州有限公司 | 2016-11-09 | — | — | CN | disclosed |