Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL14201516 | 0.92 | EPHX1 (0.36) | MAPK1L3MBTL1EPHX1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14229593 | 0.88 | RIPK1 (0.39) | MAPK1L3MBTL1EPHX1CNR2ALDH1A1 | |
| SCHEMBL14201129 | 0.87 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2PRSS1CTSGCTRB1 | |
| SCHEMBL14201145 | 0.86 | SCN5A (0.40) | EPHX1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14201165 | 0.84 | ALDH1A1 (0.36) | MAPK1L3MBTL1EPHX1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14200442 | 0.84 | MAPK1 (0.37) | MAPK1L3MBTL1EPHX1CNR2ALDH1A1 | |
| SCHEMBL14201120 | 0.84 | MAPK1 (0.35) | MAPK1L3MBTL1EPHX1CNR2ALDH1A1 | |
| SCHEMBL14229125 | 0.82 | MAPK1 (0.39) | MAPK1L3MBTL1CNR2ALDH1A1SIGMAR1 | |
| SCHEMBL14229559 | 0.81 | MAPK1 (0.36) | MAPK1L3MBTL1CNR2ALDH1A1SIGMAR1 | |
| SCHEMBL14201157 | 0.81 | RIPK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |