Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 19/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 14/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 14/20 | 0.45 |
| ▸ | GABRP | O00591 | 9/20 | 0.45 |
| ▸ | GABRD | O14764 | 9/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 9/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 9/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 9/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 9/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 9/20 | 0.45 |
| ▸ | GABRE | P78334 | 9/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 9/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 9/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 9/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 9/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7713408 | 0.89 | BACE1 (0.50) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL28085717 | 0.86 | BACE1 (0.45) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL31368646 | 0.86 | BACE1 (0.48) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL12045249 | 0.86 | BACE1 (0.58) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL28073555 | 0.82 | GABRB3 (0.46) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL5214720 | 0.82 | GRM5 (0.43) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL14146279 | 0.80 | BACE1 (0.51) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL28395392 | 0.79 | GABRB3 (0.43) | BACE1GABRB3GABRA2GABRB2GABRP | |
| SCHEMBL4669863 | 0.79 | GABRB3 (0.51) | GABRB3GABRA2GABRB2GABRPGABRD | |
| SCHEMBL28395390 | 0.79 | GABRB3 (0.43) | BACE1GABRB3GABRA2GABRB2GABRP |
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-3412659-A1 | PROCESSES FOR THE MANUFACTURE OF SULFUR-SUBSTITUTED PYRAZOLE DERIVATIVES | SOLVAY SA (BE) | 2018-12-12 | — | — | EP | disclosed |