Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | ERN1 | O75460 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5409921 | 0.75 | ALDH1A1 (0.48) | ALDH1A1GLAERN1KDM4EGRIA1 | |
| SCHEMBL3293088 | 0.75 | ALDH1A1 (0.63) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL11645181 | 0.73 | ALDH1A1 (0.61) | ALDH1A1GLAKDM4EGRIA1GRIA2 | |
| SCHEMBL28651135 | 0.73 | ALDH1A1 (0.61) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL2070952 | 0.73 | ALDH1A1 (0.61) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL10651010 | 0.73 | ALDH1A1 (0.61) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL28282461 | 0.73 | ALDH1A1 (1.00) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL1849598 | 0.69 | GLA (0.56) | ALDH1A1GLAKDM4EPARP1GRIA1 | |
| SCHEMBL11325306 | 0.69 | ALDH1A1 (0.56) | ALDH1A1GLAERN1KDM4ECYP3A4 | |
| SCHEMBL17347284 | 0.69 | GLA (0.56) | ALDH1A1GLAKDM4EPARP1GRIA1 |
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-2015191636-A2 | XANTHINE OXIDASE INHIBITORS AND METHODS OF USE | BAYLOR COLLEGE OF MEDICINE (US) | 2015-12-17 | — | — | WO | disclosed |