Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13560168 | 0.88 | MEN1 (0.50) | ALDH1A1MEN1TSHRKMT2AALOX5 | |
| SCHEMBL26929508 | 0.84 | ALOX5 (0.57) | ALOX5PTGS2ELANECTSGTYR | |
| SCHEMBL12439989 | 0.84 | ALOX5 (0.41) | ALDH1A1MEN1TSHRKMT2AALOX5 | |
| SCHEMBL22413029 | 0.84 | ALOX5 (0.49) | MEN1TSHRKMT2AALOX5PTGS2 | |
| SCHEMBL15119731 | 0.83 | PPARG (0.43) | ALDH1A1MEN1TSHRKMT2AALOX5 | |
| SCHEMBL7135782 | 0.83 | ALOX5 (0.60) | ALOX5PTGS2LMNAELANECTSG | |
| SCHEMBL17637331 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRALOX5PTGS2LMNA | |
| SCHEMBL24089314 | 0.81 | ALOX5 (0.43) | ALOX5PTGS2ELANECTSGPPARA | |
| SCHEMBL8439788 | 0.81 | HTR2A (0.45) | ALOX5PTGS2 | |
| SCHEMBL27586556 | 0.81 | AOC3 (0.57) | ALDH1A1TSHRKMT2AALOX5PTGS2 |
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-3672951-B1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2023-08-30 | — | — | EP | disclosed |