Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.40 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200318 | 0.83 | CA1 (0.40) | ESR1TDP1CA1RAB9ACA12 | |
| SCHEMBL14229111 | 0.75 | CA1 (0.58) | ESR1TDP1CA1RAB9AESR2 | |
| SCHEMBL14229180 | 0.74 | CA1 (0.79) | ESR1TDP1CA1RAB9ACA12 | |
| SCHEMBL25137428 | 0.74 | CA12 (0.55) | NR1I2CA12CA9CA2SMN1; SMN2 | |
| SCHEMBL13762630 | 0.73 | CA12 (0.50) | ESR1TDP1CA12CA9CA2 | |
| SCHEMBL14229181 | 0.73 | CA1 (0.61) | TDP1CA1RAB9ACA12CA9 | |
| SCHEMBL8910873 | 0.73 | CA12 (0.43) | ESR1TDP1RAB9ANPC1JAK2 | |
| Lithium SCHEMBL31041149 | 0.72 | CA12 (0.53) | NR1I2CA12CA9CA2SMN1; SMN2 | |
| SCHEMBL25137433 | 0.70 | CA12 (0.52) | ESR1NR1I2CA12CA9CA2 | |
| SCHEMBL2057475 | 0.70 | TDP1 (0.73) | ESR1TDP1CA1NR1I2RAB9A |
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 |