Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.59 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952962 | 0.88 | PTPN1 (0.47) | NQO1HSD17B3KDM4EALDH1A1AKR1B1 | |
| SCHEMBL29958053 | 0.81 | NQO1 (0.61) | NQO1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10436941 | 0.81 | NQO1 (0.61) | NQO1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29953189 | 0.74 | CA12 (0.62) | NQO1KDM4EALDH1A1CA12CA9 | |
| SCHEMBL29951008 | 0.74 | NQO1 (0.61) | NQO1KDM4EALDH1A1CA12LMNA | |
| SCHEMBL29953437 | 0.74 | NQO1 (0.61) | NQO1KDM4EALDH1A1MAOBGAA | |
| SCHEMBL11568363 | 0.74 | NQO1 (0.61) | NQO1KDM4EALDH1A1MAOBGAA | |
| SCHEMBL29953888 | 0.74 | ESR1 (0.48) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL29957041 | 0.74 | CSNK2A2 (0.45) | KDM4EALDH1A1CASP3ERN1ESR1 | |
| SCHEMBL11563953 | 0.74 | HSD17B3 (0.44) | NQO1HSD17B3KDM4EALDH1A1HPGD |
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 |