Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | APAF1 | O14727 | 1/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | BRD4 | O60885 | 10/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | MPI | P34949 | 1/20 | 0.60 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.60 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10413423 | 1.00 | CYP1B1 (0.78) | CYP1B1ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL11213849 | 0.94 | CYP1B1 (0.78) | CYP1B1ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL31373095 | 0.88 | CYP1B1 (1.00) | CYP1B1ALDH1A1MAPTKDM4EPOLB | |
| SCHEMBL2530062 | 0.88 | CYP1B1 (1.00) | CYP1B1ALDH1A1MAPTKDM4EPOLB | |
| SCHEMBL24158402 | 0.84 | CYP1B1 (0.59) | CYP1B1ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL17982444 | 0.84 | CYP1B1 (0.59) | CYP1B1ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL17992501 | 0.83 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MAPTNPSR1KDM4E | |
| SCHEMBL14712321 | 0.83 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MAPTNPSR1KDM4E | |
| SCHEMBL5309421 | 0.82 | ALDH1A1 (1.00) | CYP1B1ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL9290317 | 0.81 | CYP1B1 (0.56) | CYP1B1ALDH1A1MAPTKDM4EPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756703-B | Naphthalimide-based coronavirus papain-like protease inhibitors | 广州国家实验室 | 2024-12-10 | — | — | CN | disclosed |
| CN-117756703-A | Naphthalimide-based coronavirus papain-like protease inhibitors | 广州国家实验室 | 2024-03-26 | — | — | CN | disclosed |