Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 7/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646849 | 0.87 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6779230 | 0.81 | GABRA1 (0.39) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7978467 | 0.80 | MEN1 (0.50) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6768850 | 0.76 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2646048 | 0.73 | RXFP1 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7960043 | 0.73 | GABRG2 (0.84) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6996160 | 0.72 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7960064 | 0.71 | GABRA1 (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7192432 | 0.70 | GABRA1 (0.46) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6998699 | 0.69 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6303605-B1 | FOR THERAPY OF ANXIETY AND CONVULSIONS | MERCK SHARP & DOHME LTD. (GB) | 2001-10-16 | — | — | US | disclosed |