Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497713 | 0.89 | THRB (0.46) | ACACBPTPN11PTPROMMP2MMP9 | |
| SCHEMBL1813162 | 0.83 | FFAR1 (0.49) | PTPN11PTPROMMP2MMP9THRA | |
| SCHEMBL5504296 | 0.82 | PTGES (0.52) | ACACBPTPN11PTPRO | |
| SCHEMBL12626748 | 0.81 | ALDH1A1 (0.45) | ACACBMMP2MMP9 | |
| SCHEMBL27681057 | 0.81 | ESR1 (0.47) | PTPN11PTPROMMP2MMP9CNR2 | |
| SCHEMBL1810232 | 0.81 | MMP2 (0.47) | ACACBPTPN11PTPROMMP2MMP9 | |
| SCHEMBL10790284 | 0.80 | ALDH1A1 (0.51) | THRATHRB | |
| SCHEMBL5501950 | 0.78 | PSMB5 (0.43) | ACACB | |
| SCHEMBL12655950 | 0.74 | LTB4R2 (0.56) | — | |
| SCHEMBL5507735 | 0.70 | PTGES (0.54) | ACACBPTPN11PTPROTHRATHRB |
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-1756081-A1 | 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005097773-A1 | 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-10-20 | — | — | WO | disclosed |