Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 7/20 | 0.36 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 5/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6594990 | 1.00 | ADRA2A (0.40) | ADRA2ADRD5DRD3P2RY6PTPN11 | |
| SCHEMBL6080028 | 0.92 | APP (0.41) | ADRA2ADRD5DRD3P2RY6PTPN11 | |
| SCHEMBL6080033 | 0.81 | PTPN11 (0.39) | ADRA2ADRD5DRD3P2RY6PTPN11 | |
| SCHEMBL6596268 | 0.80 | HDAC3 (0.40) | PTPN11DDB1CRBNACACBACACA | |
| SCHEMBL6079942 | 0.79 | APP (0.44) | ADRA2ADRD5P2RY6AURKAAURKB | |
| SCHEMBL6596248 | 0.76 | MMP2 (0.37) | AURKAAURKBEIF4A1APPCTSB | |
| SCHEMBL6596253 | 0.76 | MMP2 (0.37) | AURKAAURKBEIF4A1APPCTSB | |
| SCHEMBL24492347 | 0.76 | ADRA2A (0.48) | ADRA2ADRD5DRD3P2RY6PTPN11 | |
| SCHEMBL29649211 | 0.76 | ADRA2A (0.48) | ADRA2ADRD5DRD3P2RY6PTPN11 | |
| SCHEMBL28423586 | 0.76 | MEN1 (0.40) | AURKAAURKBEIF4A1MAPK1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | claimed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | claimed |
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |