Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | PRKACA | P17612 | 2/20 | 0.33 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.33 |
| ▸ | PRKX | P51817 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.33 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19112149 | 0.81 | ADRB2 (0.53) | ADRB2CLK4NPC1RAB9AAOC3 | |
| SCHEMBL6869766 | 0.81 | ADRB2 (0.53) | ADRB2CLK4NPC1RAB9AAOC3 | |
| SCHEMBL6869622 | 0.79 | SRR (0.45) | PPARGCYP2D6 | |
| SCHEMBL6869224 | 0.76 | LOXL2 (0.53) | ADRB2CYP2A6 | |
| SCHEMBL533651 | 0.74 | ADRB2 (0.63) | ADRB2CLK4AOC3CYP2A6RIPK1 | |
| SCHEMBL28264926 | 0.74 | TRPA1 (0.52) | MAPK1CYP3A4CYP2A6 | |
| SCHEMBL6869699 | 0.73 | PLK1 (0.46) | RAB9AAOC3 | |
| SCHEMBL10130811 | 0.73 | ADRB2 (0.57) | ADRB2CLK4MAPK1 | |
| SCHEMBL14122679 | 0.72 | ADRB2 (0.52) | ADRB2PPARG | |
| SCHEMBL6868143 | 0.71 | LTA4H (0.53) | PPARG |
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-2470514-B1 | PSEUDO-DIPEPTIDES AS MMP INHIBITORS | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-07-12 | — | — | EP | disclosed |