Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 9/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL30079142 | 0.94 | ALDH1A1 (0.44) | SCN9APARP1ALDH1A1BACE1CTSD | |
| SCHEMBL30079605 | 0.90 | EPHX1 (0.46) | ALDH1A1BACE1CTSDNPC1MAPT | |
| SCHEMBL28563886 | 0.80 | USP30 (0.53) | SCN9AUSP30PARP1ALDH1A1NPC1 | |
| SCHEMBL18928181 | 0.80 | USP30 (0.53) | SCN9AUSP30PARP1ALDH1A1NPC1 | |
| SCHEMBL30079238 | 0.80 | ALDH1A1 (0.45) | PARP1ALDH1A1BACE1CTSDNPC1 | |
| SCHEMBL28566889 | 0.76 | USP30 (0.55) | SCN9AUSP30PARP1ALDH1A1NPC1 | |
| SCHEMBL28566888 | 0.76 | USP30 (0.55) | SCN9AUSP30PARP1ALDH1A1NPC1 | |
| SCHEMBL28577434 | 0.76 | ALDH1A1 (0.53) | SCN9AUSP30ALDH1A1L3MBTL1 | |
| SCHEMBL18928177 | 0.76 | ALDH1A1 (0.53) | SCN9AUSP30ALDH1A1L3MBTL1 | |
| SCHEMBL594395 | 0.76 | USP30 (0.51) | SCN9AUSP30PARP1ALDH1A1JAK2 |
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-3737684-B1 | 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES | IDORSIA PHARMACEUTICALS LTD (CH) | 2022-11-16 | — | — | EP | disclosed |