Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14228912 | 0.96 | CA12 (0.44) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL2478022 | 0.93 | EGFR (0.42) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL14229113 | 0.85 | CA1 (0.36) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL14200269 | 0.85 | CA12 (0.36) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL14230105 | 0.83 | CA12 (0.37) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL14229673 | 0.83 | MMP1 (0.39) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL8909554 | 0.83 | ALDH1A1 (0.52) | CA12CA9CA1ALDH1A1CA2 | |
| SCHEMBL19018673 | 0.83 | CA12 (0.48) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL65775 | 0.83 | ALDH1A1 (0.52) | CA12CA9CA1MMP1MMP2 | |
| SCHEMBL5158940 | 0.81 | ALDH1A1 (0.47) | CA12CA9CA1EGFRERBB2 |
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 |