Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3707317 | 0.85 | PARP1 (0.63) | PARP1ALDH1A1LMNACYP3A4XDH | |
| SCHEMBL3708951 | 0.81 | LMNA (0.56) | PARP1ALDH1A1LMNACASP6MAPT | |
| SCHEMBL2720416 | 0.76 | VCAM1 (0.49) | PARP1ALDH1A1LMNAMAPK1MEN1 | |
| SCHEMBL11749582 | 0.74 | ALDH1A1 (0.46) | PARP1ALDH1A1LMNACYP3A4XDH | |
| SCHEMBL3707478 | 0.73 | NPC1 (0.57) | PARP1ALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL222175 | 0.73 | ALDH1A1 (0.48) | PARP1ALDH1A1LMNACYP3A4XDH | |
| SCHEMBL3705878 | 0.73 | CA1 (0.44) | SMN1; SMN2MAPT | |
| SCHEMBL7032612 | 0.73 | ALDH1A1 (0.63) | ALDH1A1LMNACYP3A4XDHALOX15 | |
| SCHEMBL1063063 | 0.72 | LMNA (0.67) | PARP1ALDH1A1LMNACYP3A4ALOX15 | |
| SCHEMBL4704860 | 0.72 | ALDH1A1 (0.43) | PARP1ALDH1A1LMNACYP3A4XDH |
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-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |