Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 3/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951607 | 0.88 | NQO1 (0.59) | NQO1MCL1HSD17B3LMNANPSR1 | |
| SCHEMBL29953425 | 0.85 | PTPN1 (0.49) | PTPN1NQO1MCL1HSD17B3LMNA | |
| SCHEMBL5193628 | 0.76 | NQO1 (0.43) | NQO1MCL1LMNAPPARGNCOA2 | |
| SCHEMBL14170082 | 0.76 | CYP2C9 (0.46) | NQO1MCL1LMNAPPARGNCOA2 | |
| SCHEMBL11568363 | 0.76 | NQO1 (0.61) | PTPN1NQO1RXFP1KDM4EGAA | |
| SCHEMBL29958053 | 0.76 | NQO1 (0.61) | NQO1KDM4ECSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL29953437 | 0.76 | NQO1 (0.61) | PTPN1NQO1RXFP1KDM4EGAA | |
| SCHEMBL10436941 | 0.76 | NQO1 (0.61) | NQO1KDM4ECSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL5139322 | 0.75 | GRIN2D (0.46) | PTPN1NQO1MCL1LMNACSNK2A2 | |
| SCHEMBL11563953 | 0.75 | HSD17B3 (0.44) | NQO1HSD17B3LMNAKDM4EGLA |
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 |