Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 4/20 | 0.37 |
| ▸ | CCR8 | P51685 | 4/20 | 0.37 |
| ▸ | CCR5 | P51681 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2409550 | 0.80 | CCR1 (0.39) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL25101 | 0.78 | CCR1 (0.61) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL25121 | 0.78 | CCR1 (0.54) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL789544 | 0.76 | PSMD14 (0.43) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL4465618 | 0.76 | HTR1A (0.40) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL277687 | 0.74 | NUDT1 (0.32) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL2407335 | 0.73 | CCR1 (0.35) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL6312154 | 0.72 | KDM4E (0.38) | CCR1CCR8CCR5HTTHSP90AA1 | |
| SCHEMBL8467497 | 0.72 | METAP2 (0.48) | HTTHSP90AA1LMNAMMP2TSHR | |
| SCHEMBL20264913 | 0.72 | KDM4E (0.39) | CCR1CCR8CCR5HTTHSP90AA1 |
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-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |