Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16727112 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29953126 | 0.94 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL2536514 | 0.94 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL3034534 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL16727124 | 0.81 | CYP2A6 (0.53) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29956600 | 0.81 | CYP2A6 (0.53) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29955479 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL7835327 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29957402 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL6219478 | 0.80 | ALDH1A1 (0.58) | 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 |