Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2525163 | 0.84 | MAPK8 (0.56) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL23182713 | 0.79 | BTK (0.49) | MAPK8BTKALDH1A1HTR7GABRA1 | |
| SCHEMBL16511922 | 0.78 | BTK (0.65) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL130392 | 0.77 | MAPK8 (0.50) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL12093509 | 0.77 | GRM5 (0.50) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL24223904 | 0.76 | NUDT1 (0.37) | MAPK8HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL4631208 | 0.76 | — | — | |
| SCHEMBL25097014 | 0.75 | MAPK8 (0.49) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL9928723 | 0.75 | MAPK8 (0.49) | MAPK8BTKALDH1A1NPC1MAPK1 | |
| SCHEMBL107591 | 0.75 | MAPK8 (0.49) | MAPK8BTKALDH1A1NPC1MAPK1 |
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 2 patents. 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 |
| WO-2013098373-A1 | NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-04 | — | — | WO | disclosed |