Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL20656013 | 0.95 | GPR35 (0.41) | GPR35GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL20656011 | 0.83 | GPR35 (0.38) | GPR35GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL22036293 | 0.77 | DPP4 (0.32) | — | |
| SCHEMBL20656175 | 0.76 | GPR35 (0.32) | GPR35 | |
| SCHEMBL22036693 | 0.75 | — | — | |
| SCHEMBL845679 | 0.74 | GPR35 (0.50) | GPR35GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL20656174 | 0.71 | GPR35 (0.39) | GPR35GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL20656009 | 0.71 | DPP4 (0.46) | GAAALDH1A1L3MBTL1 | |
| SCHEMBL31319959 | 0.71 | GPR35 (0.40) | GPR35GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL5039924 | 0.70 | CYP2A6 (0.48) | GPR35GAAALDH1A1HDAC3HDAC4 |
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-2019011826-A1 | RING CLOSURE REACTION | MERCK PATENT GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |