Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 9/20 | 0.37 |
| ▸ | PPARD | Q03181 | 8/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208445 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BPPARAPPARDPPARG | |
| SCHEMBL12943159 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BPPARAPPARDPPARG | |
| SCHEMBL8208049 | 0.84 | NPSR1 (0.39) | FFAR1ITGB3ITGA2BPPARAPPARG | |
| SCHEMBL8208994 | 0.82 | MME (0.42) | ITGB3ITGA2BALDH1A1 | |
| SCHEMBL12907554 | 0.82 | PPARA (0.40) | FFAR1PPARAPPARDPPARG | |
| SCHEMBL8284973 | 0.81 | PPARG (0.55) | FFAR1PPARAPPARDPPARG | |
| SCHEMBL8286228 | 0.81 | PPARG (0.55) | FFAR1PPARAPPARDPPARG | |
| SCHEMBL12943109 | 0.80 | ACACB (0.35) | FFAR1CA12CA1CA2CA7 | |
| SCHEMBL8195215 | 0.80 | ACACB (0.35) | FFAR1PPARGMEN1KMT2APOLB | |
| SCHEMBL8201294 | 0.79 | PTPN1 (0.39) | — |
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-2008048121-A2 | MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF | LINCOLN UNIVERSITY (NZ) | 2008-04-24 | — | — | WO | disclosed |