Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13850484 | 0.85 | ALOX15 (0.40) | P2RX7SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL20793140 | 0.82 | P2RX7 (0.40) | P2RX7SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL20793372 | 0.79 | P2RX7 (0.41) | P2RX7NPC1MEN1KMT2ARAB9A | |
| SCHEMBL12706449 | 0.76 | P2RX7 (0.40) | P2RX7SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL14094400 | 0.76 | ALDH1A1 (0.42) | P2RX7PARP1ALOX15HSD17B10KDM4E | |
| SCHEMBL13849326 | 0.73 | P2RX7 (0.41) | P2RX7NPC1RAB9APARP1ALOX15 | |
| SCHEMBL23328920 | 0.72 | PIK3CD (0.60) | P2RX7KMT2AALOX15PIK3CD | |
| SCHEMBL11412030 | 0.72 | — | — | |
| SCHEMBL14276882 | 0.72 | P2RX7 (0.51) | P2RX7KMT2APARP1ALOX15HSD17B10 | |
| SCHEMBL14094214 | 0.72 | ALDH1A1 (0.42) | P2RX7PARP1ALOX15HSD17B10KDM4E |
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-2022269508-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2022-12-29 | — | — | WO | disclosed |