Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.46 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.46 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.46 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL921416 | 1.00 | DAO (0.51) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL2931498 | 0.83 | JAK2 (0.51) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL29431208 | 0.83 | JAK2 (0.51) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL29395331 | 0.81 | MAPT (0.50) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL1176140 | 0.81 | MAPT (0.50) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL29697249 | 0.81 | PARP1 (0.51) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL2595091 | 0.81 | MAPT (0.50) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL588431 | 0.81 | PARP1 (0.51) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL445096 | 0.81 | MAPT (0.50) | DAOMAPTHPGDCYP3A4NOS1 | |
| SCHEMBL2926701 | 0.81 | MAPT (0.50) | DAOMAPTHPGDCYP3A4NOS1 |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |