Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30066970 | 0.73 | PARP1 (0.50) | PARP1CYP11B1CYP11B2HSD17B10ALOX15 | |
| SCHEMBL5322267 | 0.73 | PARP1 (0.50) | PARP1CYP11B1CYP11B2HSD17B10ALOX15 | |
| SCHEMBL7214410 | 0.70 | PARP1 (0.54) | PARP1CYP11B1CYP11B2HSD17B10TRPA1 | |
| SCHEMBL1649469 | 0.69 | TRPA1 (0.50) | PARP1CYP11B1CYP11B2HSD17B10TRPA1 | |
| Succinic Acid SCHEMBL5320883 | 0.67 | PARP1 (0.43) | PARP1CYP11B1CYP11B2TRPA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28871452 | 0.67 | TRPA1 (0.48) | PARP1CYP11B1CYP11B2HSD17B10TRPA1 | |
| SCHEMBL27845712 | 0.65 | CYP2B6 (0.48) | PARP1HSD17B10TRPA1ALDH1A1HPGD | |
| SCHEMBL5762471 | 0.65 | HTR1A (0.39) | PARP1CYP11B1CYP11B2MAPK1 | |
| SCHEMBL29625406 | 0.64 | PARP1 (0.54) | PARP1CYP11B1CYP11B2MAPK1TRPA1 | |
| SCHEMBL1720148 | 0.64 | PARP1 (0.54) | PARP1CYP11B1CYP11B2MAPK1TRPA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1030853-A1 | NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999024442-A1 | NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 1999-05-20 | — | — | WO | disclosed |