Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18718108 | 0.96 | CASP3 (0.51) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL29397673 | 0.87 | HDAC1 (0.54) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL11912033 | 0.87 | HDAC1 (0.54) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL13402442 | 0.87 | HDAC1 (0.54) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL28527138 | 0.87 | HDAC1 (0.54) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL31000548 | 0.87 | HDAC1 (0.54) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL18718109 | 0.83 | PTPN1 (0.49) | HDAC1HDAC2CASP3MDM4TP53 | |
| SCHEMBL29555721 | 0.81 | HDAC1 (0.57) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL15982313 | 0.81 | HDAC1 (0.57) | HDAC1HDAC2CASP3IDO1TDO2 | |
| SCHEMBL392598 | 0.81 | HDAC1 (0.57) | HDAC1HDAC2CASP3IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010039163-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2010-04-08 | — | — | WO | disclosed |