Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 3/20 | 0.37 |
| ▸ | GABRD | O14764 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.37 |
| ▸ | GABRE | P78334 | 3/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21995868 | 0.85 | GABRP (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL18209727 | 0.84 | GABRP (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3462655 | 0.81 | DRD2 (0.36) | DRD2ALDH1A1ADORA3ADORA2ANPSR1 | |
| SCHEMBL2715613 | 0.71 | GABRP (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9941094 | 0.70 | KDM4E (0.39) | DRD2ALDH1A1ADORA3ADORA2ANPSR1 | |
| SCHEMBL30685698 | 0.70 | KDM4E (0.39) | DRD2ALDH1A1ADORA3ADORA2ANPSR1 | |
| SCHEMBL30685675 | 0.70 | KDM4E (0.39) | DRD2ALDH1A1ADORA3ADORA2ANPSR1 | |
| SCHEMBL21996037 | 0.69 | TRPM2 (0.37) | ALDH1A1NPSR1KDM4E | |
| SCHEMBL3462064 | 0.69 | DRD2 (0.38) | DRD2ALDH1A1KDM4EGFER | |
| SCHEMBL30685674 | 0.69 | KDM4E (0.38) | DRD2ALDH1A1ADORA3ADORA2ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020112846-A1 | SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2020-06-04 | — | — | WO | disclosed |