Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL14229115 | 0.83 | CA12 (0.39) | ALDH1A1ALOX15CHRM1CA12CA2 | |
| SCHEMBL14201256 | 0.80 | CA12 (0.36) | ALDH1A1ALOX15CA12CA2CA9 | |
| SCHEMBL14200289 | 0.78 | HCAR2 (0.30) | — | |
| SCHEMBL14200280 | 0.77 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL14200266 | 0.75 | CA12 (0.32) | CHRM1CA12CA2CA9 | |
| SCHEMBL14200370 | 0.75 | CA12 (0.32) | CA12CA2CA9 | |
| SCHEMBL14200286 | 0.75 | TSHR (0.33) | ALDH1A1CA12CA2CA9 | |
| SCHEMBL11300446 | 0.75 | ALDH1A1 (0.40) | ALDH1A1ALOX15CHRM1TTR | |
| SCHEMBL13633145 | 0.75 | ALDH1A1 (0.37) | ALDH1A1ALOX15 | |
| SCHEMBL14200291 | 0.73 | CHRNB2 (0.36) | ALDH1A1CA12CA2CA9 |
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 3 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 |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |