Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 7/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7525271 | 0.86 | FFAR1 (0.33) | FFAR1S1PR2CTSAGABBR2GABBR1 | |
| SCHEMBL7522866 | 0.86 | S1PR2 (0.36) | FFAR1S1PR2CTSAGABBR2GABBR1 | |
| SCHEMBL7526475 | 0.77 | FFAR1 (0.39) | FFAR1CTSAGABBR2GABBR1CYP2C9 | |
| SCHEMBL7522581 | 0.76 | ALDH1A1 (0.43) | FFAR1LMNAKMO | |
| SCHEMBL7524496 | 0.76 | GABBR2 (0.46) | FFAR1CTSAGABBR2GABBR1CYP2D6 | |
| SCHEMBL7522086 | 0.72 | FFAR1 (0.43) | FFAR1CTSAGABBR2GABBR1CYP2C9 | |
| SCHEMBL7521043 | 0.72 | FFAR1 (0.44) | FFAR1CTSAGABBR2GABBR1LMNA | |
| SCHEMBL7524713 | 0.72 | ITGB3 (0.46) | CTSA | |
| SCHEMBL7527891 | 0.72 | — | — | |
| SCHEMBL7528033 | 0.71 | CTSA (0.42) | FFAR1CTSA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1181267-A1 | HALOGEN COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000071500-A1 | HALOGEN COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-30 | — | — | WO | disclosed |