Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 9/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5504296 | 0.89 | PTGES (0.52) | PTGESACACBPTPN11PTPROALDH1A1 | |
| SCHEMBL1816630 | 0.86 | PTGES (0.55) | PTGESACACBTHRBTHRAPTPN11 | |
| SCHEMBL12626727 | 0.85 | PTGES (0.52) | PTGESACACBALDH1A1 | |
| SCHEMBL1814796 | 0.83 | PTGES (0.53) | PTGESACACB | |
| SCHEMBL5501954 | 0.83 | PSMB5 (0.44) | ACACBMGLLRAB9AALDH1A1 | |
| SCHEMBL5497713 | 0.81 | THRB (0.46) | ACACBTHRBTHRAPTPN11PTPRO | |
| SCHEMBL2853046 | 0.79 | THRB (0.45) | ACACBTHRBTHRAPTPN11PTPRO | |
| SCHEMBL4055579 | 0.77 | THRB (0.55) | ACACBTHRBALDH1A1 | |
| SCHEMBL1415501 | 0.77 | THRB (0.61) | THRBTHRANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5986339 | 0.76 | ACACB (0.41) | ACACBTHRBPTPN11PTPRO |
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 |