Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.59 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | GFER | P55789 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 8/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555212 | 0.85 | CYP2A6 (0.44) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29952860 | 0.83 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29955092 | 0.81 | ALDH1A1 (0.62) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29951185 | 0.81 | ALDH1A3 (0.46) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29956533 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29953958 | 0.80 | ALDH1A3 (0.45) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29279286 | 0.79 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL195135 | 0.76 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL5733313 | 0.76 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29953981 | 0.75 | MEN1 (0.43) | ALDH1A1KDM4EGAAGFERPOLB |
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 |