Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24076270 | 1.00 | ALDH1A1 (0.47) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL13717381 | 0.80 | PRMT5 (0.46) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL1009542 | 0.80 | HSD17B10 (0.51) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL10598655 | 0.78 | TRPA1 (0.57) | ALDH1A1TDP1ABL1METAP2KDM4E | |
| SCHEMBL29655093 | 0.76 | METAP2 (0.56) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL24076262 | 0.76 | METAP2 (0.56) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL1536398 | 0.75 | ROCK1 (0.52) | PARP1CES1KIF11KDM4ECRHBP | |
| SCHEMBL31243810 | 0.74 | METAP2 (0.57) | ALDH1A1ABL1HTTBCRKIF11 | |
| SCHEMBL10601519 | 0.74 | METAP2 (0.57) | ALDH1A1ABL1HTTBCRKIF11 | |
| SCHEMBL24076878 | 0.74 | PARP1 (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 |
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 |