Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 3/20 | 0.46 |
| ▸ | EDNRB | P24530 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14701152 | 0.78 | MEN1 (0.45) | EDNRAEDNRBMAPTKMT2ANPC1 | |
| SCHEMBL13588376 | 0.75 | KMT2A (0.44) | EDNRAEDNRBMAPTKMT2ANPC1 | |
| SCHEMBL10389165 | 0.71 | HSD11B1 (0.44) | HSD11B1KDM4EALDH1A1 | |
| SCHEMBL27299352 | 0.70 | EDNRA (0.45) | EDNRAEDNRBMAPTKMT2AMAPK1 | |
| SCHEMBL7715003 | 0.69 | CCR2 (0.40) | HSD11B1CES2CES1ALDH1A1 | |
| SCHEMBL8683492 | 0.68 | EDNRA (0.52) | EDNRAEDNRBHSD11B1MAPTKMT2A | |
| SCHEMBL4799233 | 0.68 | POLB (0.41) | KMT2AMEN1 | |
| SCHEMBL9543849 | 0.68 | KIF11 (0.44) | EDNRAEDNRBHSD11B1MAPTKMT2A | |
| SCHEMBL6704991 | 0.67 | ALDH1A1 (0.41) | EDNRAHSD11B1KMT2AALDH1A1 | |
| SCHEMBL6704988 | 0.67 | ALDH1A1 (0.41) | EDNRAHSD11B1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993008799-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-05-13 | — | — | WO | disclosed |