Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 6/20 | 0.42 |
| ▸ | PIM1 | P11309 | 4/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | RXFP3 | Q9NSD7 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3210719 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL9732966 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29952672 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29951875 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL5376710 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL18426484 | 0.80 | PIM3 (0.51) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL23538320 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL21624143 | 0.77 | PIM3 (0.44) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29951658 | 0.77 | PIM3 (0.44) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL2425476 | 0.77 | ERN1 (0.47) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT |
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 |