Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | PDE6D | O43924 | 1/20 | 0.66 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.66 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | HTT | P42858 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | NPY1R | P25929 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23120167 | 1.00 | TP53 (0.70) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL8023982 | 0.88 | TP53 (0.68) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23132199 | 0.86 | TP53 (0.60) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL24642288 | 0.86 | HTT (0.58) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23132097 | 0.85 | MAPT (0.61) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23131977 | 0.83 | TP53 (0.50) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23132011 | 0.83 | MAPT (0.55) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23131631 | 0.81 | TP53 (0.48) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23132198 | 0.81 | ALDH1A1 (0.59) | TP53GAAALDH1A1PDE6DALDH2 | |
| SCHEMBL23131978 | 0.80 | TP53 (0.47) | TP53GAAALDH1A1PDE6DALDH2 |
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-4031549-A1 | PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2022-07-27 | — | — | EP | disclosed |