Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL12431962 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL19766248 | 0.86 | HPGD (0.59) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL224652 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL29840683 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL21331654 | 0.83 | HSD17B10 (0.37) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL1374119 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL30959837 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL2597530 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL1816278 | 0.80 | CYP1A2 (0.65) | ALDH1A1HPGDHSD17B10CYP1A2THRB | |
| SCHEMBL16801091 | 0.80 | HSD17B10 (0.37) | ALDH1A1HPGDHSD17B10CYP1A2THRB |
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 |