Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR4 | P46093 | 13/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16965452 | 0.88 | GPR4 (0.72) | GPR4KCNH2HRH3PKMALDH1A1 | |
| SCHEMBL16965643 | 0.85 | GPR4 (0.73) | GPR4KCNH2HRH3PKMALDH1A1 | |
| SCHEMBL4369299 | 0.85 | GPR4 (0.79) | GPR4KCNH2HRH3 | |
| SCHEMBL4369304 | 0.85 | GPR4 (0.79) | GPR4KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL4368771 | 0.84 | GPR4 (0.77) | GPR4KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL4368767 | 0.84 | GPR4 (0.77) | GPR4KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL4470674 | 0.81 | GPR4 (0.41) | GPR4KCNH2HRH3ALDH1A1LMNA | |
| SCHEMBL16964531 | 0.77 | GPR4 (0.61) | GPR4KCNH2HRH3 | |
| SCHEMBL16964963 | 0.75 | GPR4 (0.59) | GPR4KCNH2HRH3MAPK1 | |
| SCHEMBL16965545 | 0.75 | GPR4 (0.58) | GPR4KCNH2HRH3ALDH1A1 |
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-2900237-A1 | COMPOUNDS FOR USE IN GASTRIC COMPLICATION | Novartis AG (CH) | 2015-08-05 | — | — | EP | disclosed |