Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19919486 | 0.83 | HCAR2 (0.40) | ALDH1A1PARP1NNMTKMT2A | |
| SCHEMBL13165482 | 0.82 | KCNJ1 (0.52) | KCNJ1ALDH1A1NNMTKMT2AHSD17B1 | |
| SCHEMBL18667946 | 0.82 | NNMT (0.53) | PARP1NNMTKMT2A | |
| SCHEMBL19565803 | 0.79 | MAPK1 (0.44) | NNMT | |
| SCHEMBL12844495 | 0.79 | PLK1 (0.43) | PARP1 | |
| SCHEMBL12844126 | 0.77 | CNR1 (0.40) | ALDH1A1PARP1 | |
| SCHEMBL45848 | 0.76 | TP53 (0.33) | ALDH1A1PARP1 | |
| SCHEMBL31058098 | 0.73 | KCNJ1 (0.46) | KCNJ1ALDH1A1NNMTKMT2A | |
| SCHEMBL3603079 | 0.71 | KCNJ1 (0.44) | KCNJ1ALDH1A1NNMT | |
| SCHEMBL4927935 | 0.71 | KCNJ1 (0.44) | KCNJ1ALDH1A1NNMTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023081232-A1 | DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME | ADCENTRX THERAPEUTICS INC. (US) | 2023-05-11 | — | — | WO | disclosed |