Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 10/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1817481 | 0.99 | ACACB (0.48) | ACACBADRB3S1PR2S1PR4S1PR1 | |
| SCHEMBL4465853 | 0.85 | FFAR1 (0.53) | ACACBADRB3S1PR2S1PR4S1PR1 | |
| SCHEMBL1810232 | 0.82 | MMP2 (0.47) | ACACBMMP2MMP9 | |
| SCHEMBL2858029 | 0.82 | FFAR1 (0.54) | ACACBS1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL1814796 | 0.82 | PTGES (0.53) | ACACBADRB3MMP2MMP9EPHX2 | |
| Hydrochloric Acid SCHEMBL4469874 | 0.81 | FFAR1 (0.52) | ACACBS1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL28378269 | 0.80 | PPARA (0.62) | ADRB3S1PR2S1PR1 | |
| SCHEMBL28575461 | 0.80 | PPARA (0.62) | ADRB3S1PR2S1PR1 | |
| SCHEMBL28379854 | 0.80 | PPARA (0.62) | ADRB3S1PR2S1PR1 | |
| SCHEMBL2858924 | 0.79 | RARB (0.61) | ACACBS1PR2S1PR4S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7947851-B2 | 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors | MERCK SERONO SA (CH) | 2011-05-24 | — | — | US | disclosed |