Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.64 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.64 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.64 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.64 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.64 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.64 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.64 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.64 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.64 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143439 | 0.82 | CYP3A4 (0.62) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL29655054 | 0.81 | TDP1 (0.47) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL29655168 | 0.81 | ERN1 (0.45) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL17599105 | 0.81 | CYP1A1 (0.71) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL30839723 | 0.79 | ALDH1A1 (0.70) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL30839719 | 0.79 | ALDH1A1 (0.70) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL30839720 | 0.79 | ALDH1A1 (0.70) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL27185990 | 0.79 | ALDH1A1 (0.70) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL29655234 | 0.79 | PTPRC (0.56) | CYP3A4ALDH1A1MEN1KMT2AADORA1 | |
| SCHEMBL5953394 | 0.79 | PTPRC (0.56) | CYP3A4ALDH1A1MEN1KMT2AADORA1 |
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 |