Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222714 | 0.92 | FFAR4 (0.32) | SCN9A | |
| SCHEMBL7218151 | 0.88 | PPARD (0.34) | HSD17B10NPSR1PPARD | |
| SCHEMBL7218091 | 0.83 | PARP10 (0.37) | HSD17B10NPSR1 | |
| SCHEMBL7218226 | 0.83 | PARP14 (0.34) | NPSR1PPARD | |
| SCHEMBL7216128 | 0.83 | PARP10 (0.44) | — | |
| SCHEMBL7216131 | 0.82 | MAPT (0.36) | CA12CA2CA9 | |
| SCHEMBL7218242 | 0.82 | NPC1 (0.37) | CA12CA2CA9 | |
| SCHEMBL7218123 | 0.82 | PPARD (0.43) | MTNR1BHSD17B10NPSR1PPARD | |
| SCHEMBL7218022 | 0.82 | ACACB (0.38) | MTNR1B | |
| SCHEMBL7216635 | 0.82 | LTA4H (0.39) | CA12CA2CA9HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |