Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200300 | 0.89 | CA12 (0.39) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL8856903 | 0.86 | CA12 (0.61) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL14229677 | 0.82 | CA12 (0.57) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL26899814 | 0.82 | CA12 (0.61) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL182567 | 0.79 | CA1 (0.61) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL11635785 | 0.78 | MGLL (0.53) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL9510265 | 0.78 | MGLL (0.53) | CA12CA1CA9MMP1MMP2 | |
| Hydrogen Sulfide SCHEMBL28326725 | 0.77 | CA1 (0.58) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL13220546 | 0.76 | LMNA (0.50) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL14201257 | 0.75 | CA12 (0.40) | CA12CA1CA9MMP1MMP2 |
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 |