Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CASP1 | P29466 | 6/20 | 0.41 |
| ▸ | CASP7 | P55210 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | GLA | P06280 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCND2 | P30279 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29958427 | 0.83 | ACACB (0.38) | ALDH1A1CYP1A2HPGDCYP2C19MEN1 | |
| SCHEMBL29953824 | 0.80 | HCAR3 (0.41) | HCAR3L3MBTL1 | |
| SCHEMBL29954362 | 0.78 | ESR1 (0.44) | ALDH1A1ACACBHCAR3 | |
| SCHEMBL29951944 | 0.77 | HDAC1 (0.43) | KMT2ALMNAHCAR3 | |
| SCHEMBL1884015 | 0.77 | GRM5 (0.39) | ALDH1A1ACACBL3MBTL1ALDH3A1ALDH1A3 | |
| SCHEMBL27081560 | 0.75 | GAA (0.40) | ALDH1A1MEN1KMT2AMAPK1GAA | |
| SCHEMBL2556628 | 0.75 | KDM4E (0.45) | ALDH1A1CASP1CASP7HSD17B10GLA | |
| SCHEMBL27083128 | 0.75 | HCAR3 (0.42) | ALDH1A1CYP1A2CYP2C19ACACBLMNA | |
| SCHEMBL10293556 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL19630947 | 0.74 | HCAR3 (0.54) | ALDH1A1HPGDLMNAHCAR3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |