Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | PRKCI | P41743 | 1/20 | 0.96 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phthalazinone SCHEMBL51553 | 0.98 | PARP1 (1.00) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL11516875 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL4663241 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL11516881 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL2473799 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL11690359 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL2962226 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL11519239 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL11519244 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI | |
| Phthalazinone SCHEMBL9617397 | 0.96 | PARP1 (0.96) | PARP1HSD17B10TDP1ALDH1A1PRKCI |
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-1513897-A | Polyether nitrile ketone containing phthalazine biphenyl structure and its preparation method | 大连理工大学 | 2004-07-21 | — | — | CN | disclosed |