Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.47 |
| ▸ | MMP9 | P14780 | 3/20 | 0.47 |
| ▸ | ACACB | O00763 | 6/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1813556 | 0.85 | MMP2 (0.45) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL1814918 | 0.85 | MMP2 (0.41) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL1812762 | 0.85 | MMP2 (0.41) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL1813162 | 0.84 | FFAR1 (0.49) | MMP2MMP9PTPN11PTPROPPARA | |
| SCHEMBL1814796 | 0.82 | PTGES (0.53) | MMP2MMP9ACACB | |
| SCHEMBL5497713 | 0.82 | THRB (0.46) | MMP2MMP9ACACBPTPN11PTPRO | |
| SCHEMBL1812949 | 0.82 | ACACB (0.49) | MMP2MMP9ACACB | |
| Hydrochloric Acid SCHEMBL1817481 | 0.81 | ACACB (0.48) | MMP2MMP9ACACB | |
| SCHEMBL5497710 | 0.81 | ACACB (0.41) | MMP2MMP9ACACBPTPN11PTPRO | |
| SCHEMBL12626748 | 0.80 | ALDH1A1 (0.45) | MMP2MMP9ACACB |
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 |
|---|---|---|---|---|---|---|---|
| US-7947851-B2 | 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors | MERCK SERONO SA (CH) | 2011-05-24 | — | — | US | claimed |
| 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 |