Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 4/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4783088 | 0.97 | HDAC6 (0.43) | ACVR1HDAC6ALDH1A1TP53TSHR | |
| SCHEMBL4796792 | 0.95 | HDAC6 (0.48) | ACVR1HDAC6ALDH1A1TP53TSHR | |
| SCHEMBL4782862 | 0.77 | HDAC6 (0.51) | ACVR1HDAC6ALDH1A1TSHRMAPK1 | |
| SCHEMBL4779638 | 0.74 | HDAC6 (0.47) | HDAC6TSHRMAPK1TNFGAA | |
| SCHEMBL4781644 | 0.72 | IRAK1 (0.52) | HDAC6PDE4B | |
| SCHEMBL4727776 | 0.72 | PDE10A (0.46) | ACVR1 | |
| SCHEMBL19645655 | 0.72 | HDAC6 (0.51) | ACVR1HDAC6ALDH1A1TSHRMAPK1 | |
| SCHEMBL4781320 | 0.70 | HDAC6 (0.55) | HDAC6TSHRMAPK1TNFGAA | |
| SCHEMBL4794353 | 0.70 | PDE10A (0.46) | ACVR1 | |
| SCHEMBL6920715 | 0.69 | ACVR1 (0.48) | ACVR1ALDH1A1TP53TSHRHSD17B10 |
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-2008020302-A2 | HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | WO | disclosed |