Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | HCN1 | O60741 | 1/20 | 0.30 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399780 | 0.83 | NPSR1 (0.41) | HTTMAPK1P2RX7CACNA1HCYP2D6 | |
| SCHEMBL31286044 | 0.82 | — | — | |
| SCHEMBL18463960 | 0.81 | MAPK1 (0.35) | HTTMAPK1P2RX7CACNA1HCYP2D6 | |
| SCHEMBL8589603 | 0.81 | NPSR1 (0.36) | HTTMAPK1P2RX7CACNA1HCYP2D6 | |
| SCHEMBL18418129 | 0.79 | CACNA1H (0.38) | ALDH1A1HTTMAPK1P2RX7CACNA1H | |
| SCHEMBL20888086 | 0.78 | TSHR (0.45) | ALDH1A1TSHRP2RX7TDP1 | |
| SCHEMBL15298878 | 0.77 | ALDH1A1 (0.37) | ALDH1A1HTTMAPK1P2RX7CACNA1H | |
| SCHEMBL20146801 | 0.77 | LMNA (0.50) | ALDH1A1HTTMAPK1TDP1 | |
| SCHEMBL10280046 | 0.76 | L3MBTL1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL22236819 | 0.76 | NPFFR1 (0.48) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1847543-A1 | Dihydrothienopyrimidines for the treatment of inflammatory diseases | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2007-10-24 | — | — | EP | disclosed |