Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL187546 | 0.91 | ALDH1A1 (0.49) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL29739457 | 0.91 | ALDH1A1 (0.49) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL15744027 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4KDM4EMAPT | |
| SCHEMBL1098907 | 0.82 | TAAR1 (0.46) | ALDH1A1TDP1CYP3A4KDM4EMAPT | |
| SCHEMBL5330357 | 0.81 | HTT (0.50) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL5952815 | 0.81 | HTT (0.50) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL32671770 | 0.80 | HTT (0.53) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL31650665 | 0.80 | HTT (0.49) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL2924231 | 0.80 | HTT (0.53) | HTTALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL15486393 | 0.80 | HTT (0.49) | HTTALDH1A1TDP1CYP3A4KDM4E |
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 4 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 |
| EP-2391604-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010072605-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |