Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DUT | P33316 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL23883039 | 0.88 | EPHX2 (0.39) | HTR2ASLC6A4CYP3A4TSHRDUT | |
| SCHEMBL18149538 | 0.85 | CYP3A4 (0.37) | HTR2ASLC6A4CYP3A4TSHRKDM1A | |
| SCHEMBL13303932 | 0.78 | ALDH1A1 (0.32) | ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL3468243 | 0.77 | CA12 (0.31) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3944115 | 0.75 | DUT (0.30) | DUT | |
| SCHEMBL2366928 | 0.74 | GFER (0.45) | CYP3A4TSHRDUTNPC1ALDH1A1 | |
| SCHEMBL21367294 | 0.74 | DUT (0.37) | DUTCA12CA1CA2CA9 | |
| SCHEMBL21356177 | 0.73 | DUT (0.31) | DUTCA12CA1CA2CA9 | |
| SCHEMBL17398622 | 0.72 | DUT (0.32) | DUT | |
| SCHEMBL14439924 | 0.72 | CYP3A4 (0.39) | HTR2ASLC6A4CYP3A4TSHRCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |