Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL13176481 | 1.00 | PTGS2 (0.45) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL13177031 | 1.00 | PTGS2 (0.45) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| Ammonia Solution, Strong SCHEMBL11508344 | 0.82 | PTGS2 (0.43) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL4813777 | 0.82 | PTGS2 (0.43) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL2163297 | 0.82 | HPGD (0.47) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL16594346 | 0.80 | PTGS2 (0.42) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL10628842 | 0.80 | PTGS2 (0.47) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL9797484 | 0.80 | PTGS2 (0.42) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL1814078 | 0.78 | PTGS2 (0.41) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL9717408 | 0.78 | SMN1; SMN2 (0.47) | PTGS2ADRA2CKDM4ELMNAADRA2A |
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-2531490-B1 | CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2014-10-15 | — | — | EP | disclosed |