Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.51 |
| ▸ | ACACB | O00763 | 4/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7218118 | 0.87 | GRM5 (0.46) | GRM5ACACBP2RY6ALOX5 | |
| SCHEMBL5208747 | 0.84 | PTGS2 (0.48) | ACACBP2RY6ALOX5 | |
| SCHEMBL913383 | 0.78 | ALOX5 (0.49) | ALOX5 | |
| SCHEMBL6755749 | 0.77 | ALOX5 (0.43) | ALOX5 | |
| SCHEMBL6755727 | 0.76 | CA12 (0.46) | — | |
| SCHEMBL6756847 | 0.76 | MEN1 (0.37) | P2RY6ALOX5 | |
| SCHEMBL6756803 | 0.76 | MEN1 (0.52) | — | |
| SCHEMBL7677996 | 0.73 | CCR5 (0.43) | ALOX5 | |
| SCHEMBL6756877 | 0.73 | MTNR1A (0.52) | ALOX5 | |
| SCHEMBL5208620 | 0.72 | CCR5 (0.54) | — |
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 |