Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL14229346 | 0.83 | ESR1 (0.48) | CA1ESR1CA12CA9SMN1; SMN2 | |
| SCHEMBL14200366 | 0.77 | CA1 (0.68) | CA1CA12CA9SMN1; SMN2CA2 | |
| SCHEMBL14200368 | 0.76 | CA1 (0.54) | CA1CA12CA2 | |
| SCHEMBL14200316 | 0.73 | CA1 (0.47) | CA1CA12CA2MEN1KMT2A | |
| SCHEMBL25137428 | 0.71 | CA12 (0.55) | CA12CA9MCOLN3SMN1; SMN2LMNA | |
| SCHEMBL14200367 | 0.70 | SIGMAR1 (0.42) | LMNAKDM4ECA2MEN1KMT2A | |
| SCHEMBL14200184 | 0.69 | CA1 (0.48) | CA1CA12CA9SMN1; SMN2CA2 | |
| SCHEMBL13762630 | 0.69 | CA12 (0.50) | ESR1CA12CA9MCOLN3HTT | |
| Lithium SCHEMBL31041149 | 0.69 | CA12 (0.53) | CA12CA9MCOLN3SMN1; SMN2LMNA | |
| SCHEMBL14193393 | 0.68 | SMN1; SMN2 (0.41) | CA12CA9SMN1; SMN2LMNAHTT |
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 |