Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514440 | 0.97 | MAOB (0.33) | MAOBAHRMMP13MMP14 | |
| SCHEMBL9513681 | 0.96 | MAOB (0.32) | MAOBAHRMMP13MMP14 | |
| SCHEMBL9513126 | 0.96 | MAOB (0.32) | MAOBAHRMMP13MMP14 | |
| SCHEMBL9513215 | 0.96 | MAOB (0.32) | MAOBAHRMMP13MMP14 | |
| SCHEMBL9513707 | 0.94 | MAOB (0.32) | MAOBAHR | |
| SCHEMBL9513173 | 0.93 | MAOB (0.34) | MAOBMMP13MMP14CYP1A1CYP1B1 | |
| SCHEMBL9513232 | 0.91 | LIPE (0.35) | MAOBAHRCYP1A1CYP1B1CHRNB2 | |
| SCHEMBL9513347 | 0.91 | MAOB (0.32) | MAOBAHR | |
| SCHEMBL9511801 | 0.90 | MAOB (0.35) | MAOBMMP13MMP14CYP1A1CYP1B1 | |
| SCHEMBL9513281 | 0.90 | MAOB (0.31) | MAOBAHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0387315-B1 | FLUORINATED ALKOXYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |