Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 5/20 | 0.33 |
| ▸ | FAAH | O00519 | 5/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229598 | 0.96 | CNR2 (0.36) | CNR2EDNRBEDNRACES1FAAH | |
| SCHEMBL14229360 | 0.91 | CA1 (0.39) | CA1CA12CA14CA2CNR2 | |
| SCHEMBL14201212 | 0.89 | CNR2 (0.33) | CNR2EDNRBEDNRACES1FAAH | |
| SCHEMBL14229344 | 0.87 | CES1 (0.36) | CA1CNR2CES1FAAHCES2 | |
| SCHEMBL14200360 | 0.87 | CA1 (0.35) | CA1CA12CA14CA2EDNRB | |
| SCHEMBL14229010 | 0.84 | CES1 (0.33) | CNR2CES1FAAHCES2BMP1 | |
| SCHEMBL14230189 | 0.83 | CA1 (0.48) | CA1CA12CA14CA2CNR2 | |
| SCHEMBL14228923 | 0.81 | CA1 (0.46) | CA1CA12CA14CA2CNR2 | |
| SCHEMBL14229014 | 0.80 | CA1 (0.41) | CA1CA12CA14CA2CNR2 | |
| SCHEMBL14229343 | 0.80 | CA1 (0.41) | CA1CA12CA14CA2CES1 |
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 |