Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229113 | 0.89 | CA1 (0.36) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL14229151 | 0.89 | MMP1 (0.42) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL14228912 | 0.87 | CA12 (0.44) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL14229504 | 0.83 | CA12 (0.41) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL2478022 | 0.83 | EGFR (0.42) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL14229142 | 0.83 | MMP1 (0.43) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL14200271 | 0.80 | CA12 (0.33) | CA12CA1CA9CA2 | |
| SCHEMBL14230105 | 0.78 | CA12 (0.37) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL9014963 | 0.78 | ALDH1A1 (0.39) | MMP1MMP2MMP3MMP8CA12 | |
| SCHEMBL23846674 | 0.78 | GGPS1 (0.39) | MMP1MMP2MMP3MMP8CA12 |
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 |