Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12820441 | 1.00 | TP53 (0.42) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL12820051 | 0.88 | TP53 (0.48) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL765729 | 0.82 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL962299 | 0.82 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL12225575 | 0.82 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL962569 | 0.82 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL26309055 | 0.78 | TP53 (0.41) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL12404074 | 0.78 | TP53 (0.41) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL12404082 | 0.78 | TP53 (0.41) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL12750460 | 0.77 | FABP6 (0.42) | TP53ALDH1A1TSHREPHX2KDM1A |
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-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |