Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.46 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907608 | 0.87 | PPARG (0.45) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL28329861 | 0.83 | ERN1 (0.49) | ERN1ALDH1A1ATMHCRTR1HCRTR2 | |
| SCHEMBL10020273 | 0.83 | ERN1 (0.49) | ERN1ALDH1A1ATMHCRTR1HCRTR2 | |
| SCHEMBL12419937 | 0.81 | PPARG (0.50) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL15337170 | 0.80 | PPARG (0.51) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL542559 | 0.80 | CA1 (0.61) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL30232935 | 0.80 | CA1 (0.61) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL17747083 | 0.79 | ALDH1A1 (0.58) | ERN1ALDH1A1KMT2AMEN1ATM | |
| SCHEMBL8906623 | 0.78 | PPARG (0.48) | ALDH1A1PPARGPPARAL3MBTL1KMT2A | |
| SCHEMBL3273922 | 0.78 | CCR6 (0.49) | ALDH1A1PPARGPPARAL3MBTL1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| EP-0710235-A4 | — | — | 1996-06-12 | — | — | EP | disclosed |
| EP-0710235-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |