Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19814165 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP1A2GAARORCSMN1; SMN2 | |
| SCHEMBL29477833 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP1A2GAASMN1; SMN2TDP1 | |
| SCHEMBL29081695 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP1A2GAASMN1; SMN2TDP1 | |
| SCHEMBL29060142 | 0.82 | ALDH1A1 (0.60) | ALDH1A1GAATDP1LMNAMEN1 | |
| SCHEMBL914646 | 0.78 | GAA (0.54) | ALDH1A1CYP1A2GAASMN1; SMN2TDP1 | |
| SCHEMBL21031175 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4 | |
| SCHEMBL11686558 | 0.78 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A2GAARORCSMN1; SMN2 | |
| SCHEMBL6811979 | 0.77 | ALDH1A1 (0.58) | ALDH1A1GAARORCSMN1; SMN2LMNA | |
| SCHEMBL30508352 | 0.77 | ALDH1A1 (0.58) | ALDH1A1GAARORCSMN1; SMN2LMNA | |
| SCHEMBL2404084 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP3A4 |
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-117120427-A | MALT1 inhibitor and preparation method and application thereof | 上海拓界生物医药科技有限公司 | 2023-11-24 | — | — | CN | disclosed |