Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL10676767 | 0.83 | HSD17B10 (0.40) | PARP1TRPA1HSD17B10ALOX15MAPK1 | |
| SCHEMBL4796276 | 0.83 | ALDH1A1 (0.37) | PARP1ALOX15MAPK1KDM4EALDH1A1 | |
| SCHEMBL9843338 | 0.76 | GAA (0.34) | GAA | |
| SCHEMBL7650577 | 0.72 | CD44 (0.36) | PARP1HSD17B10ALOX15CASP1CASP7 | |
| SCHEMBL6749423 | 0.72 | BCL2L1 (0.41) | PARP1HSD17B10ALOX15KDM4EALDH1A1 | |
| SCHEMBL30284510 | 0.71 | TRPA1 (0.41) | PARP1TRPA1HSD17B10ALOX15MAPK1 | |
| SCHEMBL28784422 | 0.71 | TRPA1 (0.51) | PARP1TRPA1HSD17B10ALOX15MAPK1 | |
| Hydrochloric Acid SCHEMBL7655465 | 0.71 | CD44 (0.35) | PARP1HSD17B10KDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7656610 | 0.71 | CD44 (0.35) | PARP1HSD17B10KDM4EALDH1A1MAPT | |
| SCHEMBL12943930 | 0.70 | ALDH1A1 (0.35) | ALDH1A1METAP2GAA |
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-1218336-A2 | MELANIN CONCENTRATING HORMONE ANTAGONIST | Takeda Chemical Industries, Ltd. (JP) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021577-A2 | MELANIN CONCENTRATING HORMONE ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-03-29 | — | — | WO | disclosed |