Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11421686 | 0.98 | PPARA (0.63) | PPARADRD2DRD1DRD3ALDH1A1 | |
| SCHEMBL22361799 | 0.86 | DRD2 (0.58) | DRD2DRD1DRD3ALDH1A1CNR2 | |
| SCHEMBL2298657 | 0.86 | DRD2 (0.58) | DRD2DRD1DRD3ALDH1A1CNR2 | |
| SCHEMBL4662846 | 0.86 | DRD2 (0.58) | DRD2DRD1DRD3ALDH1A1CNR2 | |
| SCHEMBL22361798 | 0.86 | DRD2 (0.58) | DRD2DRD1DRD3ALDH1A1CNR2 | |
| SCHEMBL29548720 | 0.86 | DRD2 (0.58) | DRD2DRD1DRD3ALDH1A1CNR2 | |
| SCHEMBL19717846 | 0.86 | ALDH1A1 (0.65) | PPARAALDH1A1CNR2HDAC6KMT2A | |
| SCHEMBL5512491 | 0.86 | ALDH1A1 (0.65) | PPARAALDH1A1CNR2HDAC6KMT2A | |
| SCHEMBL2517739 | 0.86 | ALDH1A1 (0.65) | PPARAALDH1A1CNR2HDAC6KMT2A | |
| SCHEMBL1115027 | 0.85 | CNR2 (0.54) | PPARAALDH1A1CNR2HDAC6KMT2A |
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-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |