Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.53 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | AR | P10275 | 4/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.48 |
| ▸ | TUBB | P07437 | 1/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.48 |
| ▸ | TPI1 | P60174 | 1/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19748904 | 1.00 | PARP1 (0.53) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL29655280 | 0.87 | AR (0.49) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL19747595 | 0.87 | AR (0.49) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL19748615 | 0.86 | PARP1 (0.54) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL29655020 | 0.86 | PARP1 (0.54) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL30089698 | 0.85 | ENPP1 (0.53) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL19748667 | 0.85 | ENPP1 (0.53) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL4572859 | 0.84 | ENPP1 (0.56) | PARP1ENPP1LMNAARPARP2 | |
| SCHEMBL29655172 | 0.83 | LMNA (0.55) | PARP1ENPP1LMNAHDAC1AR | |
| SCHEMBL21528284 | 0.83 | LMNA (0.55) | PARP1ENPP1LMNAHDAC1AR |
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 |