Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.50 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL27584559 | 0.85 | GABRA1 (0.53) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL8809637 | 0.80 | GABRA1 (0.45) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL2485093 | 0.79 | GABRA1 (0.51) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL2484139 | 0.79 | GABRA1 (0.51) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL2482630 | 0.79 | GABRA1 (0.51) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL8168272 | 0.78 | KMT2A (0.43) | GABRA1GABRB1GLRA1ALDH1A1HPGD | |
| SCHEMBL13111339 | 0.77 | GABRA1 (0.46) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL20207163 | 0.76 | HSD17B3 (0.55) | HSD17B3CA1CA2GAAALDH1A1 | |
| SCHEMBL28078271 | 0.76 | GABRA1 (0.78) | GABRA1GABRB1CA1CA2GLRA1 | |
| SCHEMBL25760150 | 0.75 | GABRA1 (0.47) | GABRA1GABRB1CA1CA2GLRA1 |
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-3421450-B1 | PHARMACOLOGICALLY ACTIVE COMPOUNDS | UNIV LIVERPOOL (GB) | 2020-02-05 | — | — | EP | disclosed |