Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCND3 | P30281 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28580618 | 1.00 | TTK (0.52) | TTKKIF11ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL1411783 | 0.86 | KIF11 (0.46) | TTKKIF11ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL29954719 | 0.86 | KIF11 (0.46) | TTKKIF11ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL13727221 | 0.80 | PDPK1 (0.55) | TTKKIF11CYP2A6CDK2KDM4E | |
| SCHEMBL3538242 | 0.80 | TTK (0.54) | TTKKIF11CYP2A6CHEK1CDK4 | |
| SCHEMBL29958184 | 0.79 | TTK (0.52) | TTKKIF11ALDH1A1CYP2A6CHEK1 | |
| SCHEMBL29921404 | 0.79 | TTK (0.52) | TTKKIF11ALDH1A1CYP2A6CHEK1 | |
| SCHEMBL578196 | 0.79 | TTK (0.52) | TTKKIF11ALDH1A1CYP2A6CHEK1 | |
| SCHEMBL15652140 | 0.79 | TTK (0.52) | TTKKIF11ALDH1A1CYP2A6CHEK1 | |
| SCHEMBL3593032 | 0.75 | MAP2K4 (0.50) | ALDH1A1CHEK1GSK3BMAP2K4SMN1; SMN2 |
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 |