Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 10/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926983 | 0.82 | GABRG2 (0.33) | GABRG2GABRB3GABRA5GABRA1GABRA2 | |
| SCHEMBL6581361 | 0.78 | NR1H2 (0.39) | NR1H2GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL6581323 | 0.74 | HTT (0.39) | NR1H2GABRG2GABRB3GABRA5CA12 | |
| SCHEMBL12361363 | 0.73 | MAP2K4 (0.32) | GABRG2GABRB3GABRA5GABRA1GABRA2 | |
| SCHEMBL6585158 | 0.72 | NR1H2 (0.45) | NR1H2NR1H3CA12CA9HSP90AA1 | |
| SCHEMBL861356 | 0.71 | NR1H2 (0.35) | NR1H2GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL7016266 | 0.70 | NR1H2 (0.46) | NR1H2NR1H3CA12CA9HSP90AA1 | |
| SCHEMBL21083012 | 0.69 | NR1H2 (0.43) | NR1H2NR1H3CA12CA9HSP90AA1 | |
| SCHEMBL7480278 | 0.69 | NR1H2 (0.38) | NR1H2GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL27558057 | 0.69 | NR1H2 (0.35) | NR1H2NR1H3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037887-B1 | 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY | PROCTER & GAMBLE (US) | 2004-07-14 | — | — | EP | disclosed |
| US-6486190-B1 | 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability | THE PROCTER & GAMBLE COMPANY | 2002-11-26 | — | — | US | disclosed |