Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25187916 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL10974012 | 0.84 | NOS2 (0.43) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL1179474 | 0.78 | NOS2 (0.34) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL27846488 | 0.78 | ALDH1A1 (0.37) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL29950842 | 0.78 | ALDH1A1 (0.37) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL29945725 | 0.77 | ERN1 (0.38) | ERN1CCR1TERT | |
| SCHEMBL29600243 | 0.77 | NOS2 (0.44) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL1646533 | 0.77 | NOS2 (0.44) | ALDH1A1KDM4ESMN1; SMN2MEN1MAPT | |
| SCHEMBL1572837 | 0.77 | ERN1 (0.38) | ERN1CCR1TERT | |
| SCHEMBL165100 | 0.75 | — | — |
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 |