Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL30079605 | 0.96 | EPHX1 (0.46) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL30079299 | 0.94 | SCN9A (0.45) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL30079238 | 0.86 | ALDH1A1 (0.45) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL30079591 | 0.80 | ALDH1A1 (0.42) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL31184445 | 0.79 | KDM4E (0.53) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL2604335 | 0.79 | KDM4E (0.53) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL23536067 | 0.77 | KDM4E (0.48) | ALDH1A1MAPTHTTGPR119PTPN2 | |
| SCHEMBL24895521 | 0.77 | ALDH1A1 (0.47) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL17803256 | 0.75 | USP30 (0.48) | ALDH1A1EPHX1L3MBTL1NPC1MAPT | |
| SCHEMBL2102000 | 0.75 | ALDH1A1 (0.57) | ALDH1A1EPHX1L3MBTL1NPC1MAPT |
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 |