Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | CTSV | O60911 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2616867 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL7342175 | 0.89 | SMN1; SMN2 (0.50) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL29528295 | 0.89 | MAPT (0.55) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL10061468 | 0.89 | MAPT (0.55) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL6968035 | 0.84 | SMN1; SMN2 (0.48) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL4095909 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL4095907 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL1644599 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL19695886 | 0.80 | SMN1; SMN2 (0.49) | ALDH1A1MAPTTDP1CYP3A4ALOX15 | |
| SCHEMBL9420569 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPTTDP1CYP3A4ALOX15 |
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-117545751-A | 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use | 生命爱科 | 2024-02-09 | — | — | CN | disclosed |
| CN-113480520-B | Isoquinoline-1, 3(2H, 4H) -diketone derivative and application thereof | 吉林大学 | 2022-05-13 | — | — | CN | disclosed |