Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | SUV39H2 | Q9H5I1 | 5/20 | 0.38 |
| ▸ | SSTR2 | P30874 | 6/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30079301 | 0.84 | HRH3 (0.43) | HRH3AKT2SSTR2CHRNB4CHRNA3 | |
| SCHEMBL30079412 | 0.80 | HRH3 (0.40) | HRH3AKT2SSTR2KDM1ACHRNB4 | |
| SCHEMBL30079400 | 0.80 | C5AR1 (0.44) | HRH3AKT2SSTR2KDM1A | |
| SCHEMBL30079321 | 0.78 | SUV39H2 (0.35) | KMT2ASUV39H2 | |
| SCHEMBL30079314 | 0.77 | ALDH1A1 (0.41) | MEN1TSHRKMT2A | |
| SCHEMBL4509928 | 0.72 | HTR3E (0.54) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL16684915 | 0.68 | SMARCA2 (0.47) | HRH3SUV39H2SSTR2 | |
| Hydrochloric Acid SCHEMBL16684752 | 0.67 | SMARCA2 (0.46) | HRH3SUV39H2SSTR2 | |
| SCHEMBL4490992 | 0.67 | HTR3E (0.43) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| Hydrochloric Acid SCHEMBL2275791 | 0.67 | SMARCA2 (0.46) | HRH3SUV39H2SSTR2 |
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 |