Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 1.00 |
| ▸ | MBOAT4 | Q96T53 | 4/20 | 0.73 |
| ▸ | CCR6 | P51684 | 1/20 | 0.73 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.63 |
| ▸ | USP7 | Q93009 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | STAT3 | P40763 | 1/20 | 0.63 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22345141 | 1.00 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL24337036 | 1.00 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL19380278 | 1.00 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL23897711 | 1.00 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL17553178 | 0.92 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL26755157 | 0.92 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL26755299 | 0.91 | NOS2 (0.83) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL24337158 | 0.91 | NOS2 (0.83) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL17553174 | 0.90 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 | |
| SCHEMBL19380279 | 0.90 | NOS2 (1.00) | NOS2MBOAT4CCR6KEAP1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016033132-A1 | PYRIDYL ANALOGS OF 1-(2-CYANO-3,12-DIOXOOLEANA-1,9(11)DIEN-28-OYL) IMIDAZOLE | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2016-03-03 | — | — | WO | disclosed |