Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639066 | 0.86 | PARP1 (0.57) | PARP1KCNA3KDM4EALDH1A1MAPK14 | |
| SCHEMBL3645395 | 0.85 | PARP1 (0.60) | PARP1KCNA3PTGESKDM4EALDH1A1 | |
| SCHEMBL3645399 | 0.85 | PARP1 (0.56) | PARP1KCNA3PTGESKDM4EALDH1A1 | |
| SCHEMBL3645393 | 0.83 | PARP1 (0.54) | PARP1KCNA3PTGESKDM4EALDH1A1 | |
| SCHEMBL26930777 | 0.83 | PARP1 (0.54) | PARP1KCNA3KDM4EALDH1A1LMNA | |
| SCHEMBL3646207 | 0.82 | HTR4 (0.50) | ALDH1A1LMNA | |
| SCHEMBL14880539 | 0.79 | PARP1 (0.68) | PARP1KCNA3KDM4EHCRTR1HCRTR2 | |
| SCHEMBL2412022 | 0.78 | HDAC6 (0.52) | PARP1ALDH1A1LMNATGM2 | |
| SCHEMBL7980334 | 0.78 | PARP1 (0.66) | PARP1KCNA3HCRTR1HCRTR2SSTR4 | |
| SCHEMBL3455114 | 0.76 | PARP1 (0.52) | PARP1KCNA3 |
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-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | disclosed |