Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19282141 | 1.00 | NQO1 (0.41) | NQO1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL2455863 | 0.84 | CYP2D6 (0.45) | ALDH1A1CYP3A4MAPTKMT2AKDM4E | |
| SCHEMBL28476321 | 0.81 | NQO1 (0.41) | NQO1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL29601133 | 0.81 | CCR1 (0.55) | ALDH1A1MAPTNPSR1NOS1NOS2 | |
| SCHEMBL1208300 | 0.81 | CCR1 (0.55) | ALDH1A1MAPTNPSR1NOS1NOS2 | |
| SCHEMBL19997142 | 0.80 | KDM4E (0.42) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL28932682 | 0.79 | NQO1 (0.41) | NQO1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL23909411 | 0.77 | KDM4E (0.51) | NQO1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL21645923 | 0.77 | GSTP1 (0.42) | ALDH1A1KDM4EGAACA12CA1 | |
| SCHEMBL21646059 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPTHSD17B10KMT2ANPSR1 |
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 |