Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24359760 | 0.78 | ALDH1A1 (0.65) | ESR2DHODHKDM4ENPSR1RXFP1 | |
| SCHEMBL16389422 | 0.78 | ALDH1A1 (0.59) | ESR2DHODHKDM4ENPSR1RXFP1 | |
| SCHEMBL21703859 | 0.78 | HTR6 (0.49) | HTR6KDM4ENPSR1TRIM58ALDH1A1 | |
| SCHEMBL24280039 | 0.78 | HTR6 (0.49) | HTR6KDM4ENPSR1TRIM58ALDH1A1 | |
| SCHEMBL18934066 | 0.78 | HTR6 (0.49) | HTR6KDM4ENPSR1TRIM58ALDH1A1 | |
| SCHEMBL3804750 | 0.76 | MAPT (0.52) | HTR6KDM4ETRIM58ALDH1A1GAA | |
| SCHEMBL14397327 | 0.76 | ALOX5 (0.57) | ESR2HTR6KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL1443418 | 0.73 | AHR (0.74) | ESR2CYP1A2PTGES2AHRERCC5 | |
| SCHEMBL29493845 | 0.73 | AHR (0.74) | ESR2CYP1A2PTGES2AHRERCC5 | |
| SCHEMBL27631691 | 0.73 | KDM4E (0.53) | HTR6KDM4EALDH1A1GAAHTT |
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-3820966-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-08 | — | — | EP | disclosed |