Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | PARP1 | P09874 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | PRKCI | P41743 | 1/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13488080 | 1.00 | ALDH1A1 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL1008698 | 0.85 | ALDH1A1 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL31538179 | 0.79 | MAPT (0.58) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL4702841 | 0.79 | MAPT (0.58) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL392303 | 0.78 | METAP2 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL29599162 | 0.78 | METAP2 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL26427164 | 0.78 | PARP1 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL29390884 | 0.78 | PARP1 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL21917350 | 0.78 | PARP1 (0.56) | ALDH1A1PARP1HSD17B10PRKCIPDE4B | |
| SCHEMBL1526819 | 0.77 | ALDH1A1 (0.51) | ALDH1A1PARP1HSD17B10PRKCIPDE4B |
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-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |