Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21755152 | 0.84 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22022340 | 0.84 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28914571 | 0.79 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2441159 | 0.76 | ALDH1A1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10510434 | 0.75 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20098036 | 0.72 | ALDH1A1 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20098666 | 0.72 | GABRA1 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21117035 | 0.71 | CCKAR (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20098037 | 0.71 | NPC1 (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL24246717 | 0.70 | GABRA1 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2006071775-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-07-06 | — | — | WO | claimed |