Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 8/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 8/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 8/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 8/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 8/20 | 0.49 |
| ▸ | GABRA6 | Q16445 | 8/20 | 0.49 |
| ▸ | GABRP | O00591 | 6/20 | 0.49 |
| ▸ | GABRD | O14764 | 6/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.49 |
| ▸ | GABRE | P78334 | 6/20 | 0.49 |
| ▸ | GABRG1 | Q8N1C3 | 6/20 | 0.49 |
| ▸ | GABRG3 | Q99928 | 6/20 | 0.49 |
| ▸ | GABRQ | Q9UN88 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22978618 | 1.00 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22978588 | 0.89 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30525611 | 0.84 | TSHR (0.46) | KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22990318 | 0.84 | TSHR (0.46) | KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17559377 | 0.81 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23350063 | 0.81 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30100094 | 0.81 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22978512 | 0.78 | KDM4E (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26899199 | 0.76 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL1424950 | 0.76 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |