Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | FLT3 | P36888 | 2/20 | 0.56 |
| ▸ | SGK1 | O00141 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | STK17B | O94768 | 1/20 | 0.56 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22443304 | 1.00 | PKM (0.58) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL24487442 | 0.84 | KDM4E (0.55) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL2956667 | 0.80 | ALDH1A1 (0.73) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL24487443 | 0.78 | HTR6 (0.61) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL2205697 | 0.78 | KDM4E (0.57) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL2880010 | 0.77 | KDM4E (0.66) | PKMGAAALDH1A1TSHRMAPT | |
| SCHEMBL2810876 | 0.77 | ALDH1A1 (0.58) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL19385396 | 0.76 | GAA (0.62) | PKMGAAALDH1A1TSHRMAPT | |
| SCHEMBL24487440 | 0.76 | KDM4E (0.55) | PKMGAAALDH1A1TSHRCYP1A2 | |
| SCHEMBL7679486 | 0.76 | ALDH1A1 (0.60) | GAAALDH1A1TSHRCYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3941920-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2022-01-26 | — | — | EP | disclosed |