Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30565508 | 0.82 | P2RX7 (0.43) | IDH1PGK1PGK2IDH2ADRB1 | |
| SCHEMBL12221318 | 0.82 | HTR3E (0.37) | IDH1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12153223 | 0.82 | P2RX7 (0.43) | IDH1PGK1PGK2IDH2ADRB1 | |
| SCHEMBL23966994 | 0.80 | HSD11B1 (0.40) | IDH1PGK1PGK2IDH2ADRB1 | |
| SCHEMBL15832228 | 0.78 | HTR3E (0.35) | PGK1PGK2HTR3EHTR3BHTR3A | |
| SCHEMBL12553835 | 0.77 | PGK1 (0.42) | IDH1PGK1PGK2IDH2ADRB1 | |
| SCHEMBL20909878 | 0.76 | CCR1 (0.46) | IDH1PGK1PGK2IDH2CYP3A4 | |
| SCHEMBL31596325 | 0.76 | CCR1 (0.46) | IDH1PGK1PGK2IDH2CYP3A4 | |
| SCHEMBL22140200 | 0.75 | HTR3E (0.33) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL23966993 | 0.75 | ADRB1 (0.32) | PGK1PGK2HTR3EHTR3BHTR3A |
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-3572413-B1 | 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-11-03 | — | — | EP | disclosed |