Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6102214 | 0.93 | NR1I2 (0.36) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL6102956 | 0.86 | GRM5 (0.37) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL6111385 | 0.84 | IKBKB (0.34) | IKBKB | |
| SCHEMBL15498232 | 0.82 | NR1I2 (0.46) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL670952 | 0.82 | NR1I2 (0.46) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL6102735 | 0.81 | — | — | |
| SCHEMBL6104855 | 0.79 | GRM5 (0.38) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL6110869 | 0.78 | IKBKB (0.33) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL671280 | 0.77 | NR1I2 (0.46) | IKBKBNR1I2CYP2E1 | |
| SCHEMBL15498226 | 0.77 | NR1I2 (0.46) | IKBKBNR1I2CYP2E1 |
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-2006072347-A2 | ALKINYL-SUBSTITUTED THIOPHENES | AICURIS GMBH & CO. KG (DE) | 2006-07-13 | — | — | WO | disclosed |