Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26506964 | 1.00 | ROCK2 (0.37) | ROCK2ROCK1PTPN11KDM4EBCHE | |
| Hydrochloric Acid SCHEMBL25327051 | 0.98 | ROCK2 (0.36) | ROCK2ROCK1PTPN11KDM4EBCHE | |
| Hydrochloric Acid SCHEMBL25327058 | 0.98 | ROCK2 (0.36) | ROCK2ROCK1PTPN11KDM4EBCHE | |
| SCHEMBL27228403 | 0.94 | MMP8 (0.36) | ROCK2ROCK1PTPN11KDM4EPARP1 | |
| SCHEMBL18575434 | 0.88 | GNAI3 (0.40) | ROCK2ROCK1ARG1ARG2 | |
| SCHEMBL102223 | 0.82 | PIK3CD (0.42) | PTPN11KDM4EMMP2MMP8ALDH1A1 | |
| SCHEMBL3009573 | 0.80 | DRD2 (0.50) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL15451231 | 0.80 | DRD2 (0.50) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL15451281 | 0.80 | DRD2 (0.50) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL27858679 | 0.80 | ALDH1A1 (0.39) | PTPN11KDM4EBCHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1858836-B1 | ANALOGUES OF THE AZINOMYCINS AS ANTI-TUMOUR AGENTS AND AS PRODRUGS | UNIV BRADFORD (GB) | 2009-11-18 | — | — | EP | disclosed |