Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347727 | 0.84 | HTT (0.38) | TP53ARHTT | |
| SCHEMBL4343499 | 0.82 | ALDH1A1 (0.39) | GAAALDH1A1TDP1HTT | |
| SCHEMBL4343702 | 0.82 | DHODH (0.43) | GAAALDH1A1TDP1P2RX7HTT | |
| SCHEMBL4358260 | 0.77 | HTT (0.34) | GAAALDH1A1HTT | |
| SCHEMBL22200943 | 0.75 | GAA (0.59) | XDHSLC22A12GAAALDH1A1TDP1 | |
| SCHEMBL4346777 | 0.75 | HTT (0.38) | GAAALDH1A1TP53HTT | |
| SCHEMBL4346269 | 0.75 | CXCR2 (0.39) | ALDH1A1P2RX1P2RX7HTT | |
| SCHEMBL4349894 | 0.73 | GAA (0.40) | GAAALDH1A1TDP1P2RX7HTT | |
| SCHEMBL4351163 | 0.72 | HTT (0.58) | XDHSLC22A12GAAALDH1A1TDP1 | |
| SCHEMBL7751129 | 0.72 | LMNA (0.59) | XDHSLC22A12GAAALDH1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |