Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200643 | 0.79 | HPGD (0.49) | HTTALDH1A1NPSR1CYP2A6TSHR | |
| SCHEMBL29955621 | 0.79 | HPGD (0.49) | HTTALDH1A1NPSR1CYP2A6TSHR | |
| SCHEMBL29952787 | 0.77 | ERN1 (0.36) | GAAALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2323373 | 0.75 | SLC2A1 (0.47) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8755940 | 0.74 | HTT (0.64) | HTTGAAALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL29950956 | 0.74 | ALDH1A1 (0.39) | HTTALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL29954934 | 0.73 | MAPT (0.38) | HTTGAAALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL29957321 | 0.73 | NPC1 (0.37) | HTTGAAALDH1A1CYP2A6TSHR | |
| SCHEMBL29955431 | 0.72 | ENPP2 (0.37) | HTTALDH1A1MAPT | |
| SCHEMBL8756484 | 0.72 | HTT (0.43) | HTTGAAALDH1A1NPSR1L3MBTL1 |
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 |