Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 6/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 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 | |
|---|---|---|---|---|
| SCHEMBL3599351 | 0.81 | MIF (0.35) | MIFTRPA1 | |
| SCHEMBL3593474 | 0.77 | MIF (0.39) | MIFTRPA1CYP2E1CYP2A6HIF1A | |
| Phenethyl Isocyanate SCHEMBL5918 | 0.77 | MIF (0.63) | MIFTRPA1CYP2E1CYP2A6HIF1A | |
| SCHEMBL25873969 | 0.76 | MIF (0.32) | MIFTRPA1CYP2E1CYP2A6HIF1A | |
| SCHEMBL6804290 | 0.75 | MIF (0.50) | MIFTRPA1CYP2E1CYP2A6HIF1A | |
| SCHEMBL29287761 | 0.75 | CYP3A4 (0.50) | TRPA1 | |
| SCHEMBL331135 | 0.74 | MIF (0.48) | MIFTRPA1CYP2E1CYP2A6HIF1A | |
| SCHEMBL159206 | 0.70 | MAOA (0.44) | CYP2A6 | |
| SCHEMBL4619944 | 0.69 | MEN1 (0.57) | — | |
| SCHEMBL29077870 | 0.69 | MIF (0.37) | MIFTRPA1CYP2E1CYP2A6HIF1A |
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-2014028931-A2 | COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS | BRANDEIS UNIVERSITY (US) | 2014-02-20 | — | — | WO | disclosed |