Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE6D | O43924 | 1/20 | 0.39 |
| ▸ | PDE8A | O60658 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2023608 | 0.84 | HPGD (0.45) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL6027612 | 0.82 | FEN1 (0.55) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL12640845 | 0.79 | HPGD (0.44) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL2027361 | 0.78 | HCAR2 (0.48) | HPGDCYP1A2CYP2C19CYP2C9MAPT | |
| SCHEMBL2027130 | 0.77 | LDHA (0.45) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL5251146 | 0.72 | LDHA (0.59) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL9497347 | 0.71 | HPGD (0.47) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL6723798 | 0.69 | NPC1 (0.43) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL14642161 | 0.69 | KDM4D (0.45) | HPGDCYP1A2CYP2C19CYP2C9LDHA | |
| SCHEMBL11366776 | 0.69 | HPGD (0.62) | HPGDCYP1A2CYP2C19CYP2C9LDHA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3807276-A2 | KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER | Amgen Inc. (US) | 2021-04-21 | — | — | EP | disclosed |