Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24628245 | 0.94 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24628242 | 0.94 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24759376 | 0.89 | ABCG2 (0.43) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24628548 | 0.88 | MAPT (0.36) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24628875 | 0.88 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24628544 | 0.88 | PLA2G2A (0.40) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL26271373 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL23385221 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24523178 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL24758925 | 0.85 | ABCG2 (0.44) | ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022148717-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-07-14 | — | — | WO | disclosed |