Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND2 | P30279 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951897 | 0.82 | ACACB (0.43) | ACACBMEN1KMT2ACYP1A2TDP1 | |
| SCHEMBL29954362 | 0.76 | ESR1 (0.44) | ACACBHCAR3ALDH1A1 | |
| SCHEMBL1884015 | 0.76 | GRM5 (0.39) | ACACBL3MBTL1MAP4K4ALDH1A1 | |
| SCHEMBL29958408 | 0.75 | HCAR3 (0.53) | TYRL3MBTL1HCAR3ALDH1A1 | |
| SCHEMBL10293489 | 0.73 | APLNR (0.41) | CDK4CCND1CCND2CCND3ACACB | |
| SCHEMBL26791457 | 0.72 | MEN1 (0.42) | CDK4CCND1CCND2CCND3ACACB | |
| SCHEMBL29958007 | 0.72 | ALDH1A1 (0.41) | CDK4CCND1CCND2CCND3ACACB | |
| SCHEMBL23852654 | 0.72 | TAS1R3 (0.37) | ACACBHCAR3CDK9CDK5DYRK1B | |
| SCHEMBL11376566 | 0.71 | GAA (0.48) | CDK4CCND1CCND2CCND3ACACB | |
| SCHEMBL1257511 | 0.71 | NPC1 (0.46) | CDK4CCND1CCND2CCND3ACACB |
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 |