Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 13/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19748386 | 1.00 | AR (0.69) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655072 | 0.91 | AR (0.66) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL21528308 | 0.91 | AR (0.66) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19747590 | 0.90 | AR (0.65) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655014 | 0.90 | AR (0.65) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29655186 | 0.85 | AR (0.73) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748634 | 0.85 | AR (0.73) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19748738 | 0.83 | CYP3A4 (0.80) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29654995 | 0.83 | CYP3A4 (0.80) | ARCYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1076493 | 0.82 | AR (1.00) | ARCYP3A4CYP2C9TSHRCYP2C19 |
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 |