Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PREP | P48147 | 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 | |
|---|---|---|---|---|
| SCHEMBL1178145 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2AGTR2HRH3GAA | |
| SCHEMBL1177948 | 0.83 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2AGTR2HRH3GAA | |
| SCHEMBL7601254 | 0.81 | POLB (0.55) | ALDH1A1SMN1; SMN2HRH3CNR1CNR2 | |
| SCHEMBL7606160 | 0.78 | PTGS2 (0.61) | PTGS2 | |
| Bicarbonate SCHEMBL3692775 | 0.78 | PTGES (0.45) | ALDH1A1SMN1; SMN2PTGS2MAPT | |
| SCHEMBL1179153 | 0.77 | PTGES (0.58) | PTGS2 | |
| SCHEMBL1178294 | 0.76 | PTGES (0.44) | ALDH1A1SMN1; SMN2PTGS2MAPT | |
| SCHEMBL3691465 | 0.76 | PTGS2 (0.45) | PTGS2 | |
| SCHEMBL1178774 | 0.75 | PTGS2 (0.69) | PTGS2 | |
| SCHEMBL1080459 | 0.75 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HRH3CNR1CNR2 |
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-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |