Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.38 |
| ▸ | PPIA | P62937 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL6080436 | 0.91 | ADORA3 (0.41) | XDHPPIAFFAR1AKR1B1ADORA3 | |
| Benzene SCHEMBL6592619 | 0.88 | XDH (0.39) | XDHKDM4EALDH1A1MAOB | |
| SCHEMBL6593145 | 0.83 | XDH (0.40) | XDHMCL1FFAR1 | |
| SCHEMBL6594157 | 0.83 | XDH (0.40) | XDHKDM4EALDH1A1MAOB | |
| SCHEMBL6080444 | 0.82 | XDH (0.38) | XDHPPIAKDM4EADORA3MAOB | |
| SCHEMBL6079768 | 0.81 | ALDH1A1 (0.38) | KDM4EALDH1A1MCL1FFAR1ADORA3 | |
| SCHEMBL6080295 | 0.80 | KDM4A (0.38) | KDM4EALDH1A1MCL1PTPN1PTPN6 | |
| SCHEMBL6079492 | 0.78 | XDH (0.41) | XDHADORA3MAOB | |
| SCHEMBL6080478 | 0.76 | XDH (0.39) | XDHKDM4EALDH1A1MAOB | |
| SCHEMBL6080232 | 0.73 | PTGER1 (0.43) | PPIAADORA3 |
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 |