Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229365 | 0.95 | CA1 (0.55) | CA1CA12CA9CA2CA14 | |
| SCHEMBL2126416 | 0.89 | DNM1 (0.48) | CA1CA12CA9CA2CNR2 | |
| SCHEMBL14229012 | 0.87 | CNR2 (0.46) | CA1CA12CA9CA2CA14 | |
| SCHEMBL14228898 | 0.87 | CA1 (0.40) | CA1CA12CA9CA2CA14 | |
| SCHEMBL5257178 | 0.86 | CA1 (0.43) | CA1CA12CA9CA2CA14 | |
| SCHEMBL14229874 | 0.85 | CNR2 (0.45) | CA1CA12CA9CA2CA14 | |
| SCHEMBL14200186 | 0.84 | CA1 (0.34) | CA1CA12CA9CA2CA14 | |
| SCHEMBL14229131 | 0.83 | FAAH (0.48) | CA2CNR2CES2CES1FAAH | |
| SCHEMBL14229358 | 0.83 | CA1 (0.48) | CA1CA12CA9CA2CA14 | |
| SCHEMBL14230189 | 0.83 | CA1 (0.48) | CA1CA12CA9CA2CA14 |
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 |