Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.45 |
| ▸ | PRAP1 | Q96NZ9 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.45 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19748080 | 1.00 | PARP1 (0.58) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655243 | 0.87 | PARP1 (0.56) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748759 | 0.87 | PARP1 (0.56) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748613 | 0.86 | PARP1 (0.60) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655027 | 0.86 | PARP1 (0.60) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748136 | 0.85 | PARP1 (0.54) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655036 | 0.85 | PARP1 (0.54) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19747666 | 0.85 | PARP1 (0.61) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29654940 | 0.85 | PARP1 (0.61) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748474 | 0.84 | PARP1 (0.64) | PARP1CYP3A4CYP2C9TSHRCYP2C19 |
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 |