Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30079311 | 0.82 | MAPK8 (0.44) | ALDH1A1HTTLMNAKDM4EMAPT | |
| SCHEMBL30079314 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTLMNAKDM4EMAPT | |
| SCHEMBL30079400 | 0.79 | C5AR1 (0.44) | C5AR1 | |
| SCHEMBL30079417 | 0.77 | C5AR1 (0.42) | ALDH1A1HTTLMNAMAPTC5AR1 | |
| SCHEMBL17893838 | 0.68 | MAPT (0.47) | ALDH1A1HTTLMNAKDM4EMAPT | |
| SCHEMBL2273685 | 0.68 | LGMN (0.44) | ALDH1A1HTTKDM4EMAPTNPSR1 | |
| SCHEMBL17893793 | 0.67 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EMAPTNPSR1 | |
| SCHEMBL609770 | 0.66 | ALDH1A1 (0.41) | ALDH1A1HTTLMNAKDM4EMAPT | |
| SCHEMBL17893645 | 0.66 | DPP4 (0.44) | ALDH1A1KDM4EMAPTPOLBKMT2A | |
| SCHEMBL24246943 | 0.66 | SLC22A12 (0.44) | — |
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 |