Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.54 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 11/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL408273 | 0.88 | DGAT1 (0.54) | DGAT1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4298033 | 0.85 | DGAT1 (0.57) | DGAT1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL17350704 | 0.85 | DGAT1 (0.52) | DGAT1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4408386 | 0.85 | SCN9A (0.46) | PARP1PARP2PARP3DGAT1KDM4E | |
| SCHEMBL10576877 | 0.81 | MAPT (0.63) | DGAT1KDM4EALDH1A1CA12CA1 | |
| SCHEMBL23212137 | 0.81 | BCAT2 (0.45) | PARP1DGAT1KDM4EALDH1A1CA12 | |
| SCHEMBL29370792 | 0.81 | BCAT2 (0.45) | PARP1DGAT1KDM4EALDH1A1CA12 | |
| SCHEMBL4484548 | 0.80 | SCN9A (0.57) | PARP1PARP2PARP3DGAT1SCN9A | |
| SCHEMBL407255 | 0.79 | DGAT1 (0.67) | DGAT1 | |
| SCHEMBL16378282 | 0.79 | DGAT1 (0.40) | PARP1DGAT1KDM4EL3MBTL1 |
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-2008011131-A2 | AMIDE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-01-24 | — | — | WO | disclosed |