Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL11472894 | 0.77 | KDM4E (0.62) | KDM4ELMNARAB9ANPC1HSD17B10 | |
| SCHEMBL11470591 | 0.74 | KDM4E (0.59) | KDM4ERAB9ANPC1HSD17B10TSHR | |
| SCHEMBL29973757 | 0.73 | KDM4E (0.57) | KDM4ESMN1; SMN2 | |
| SCHEMBL29974345 | 0.71 | KDM4E (0.54) | KDM4ERAB9ANPC1MAPK1HSD17B10 | |
| SCHEMBL361719 | 0.71 | KDM4E (0.54) | KDM4ERAB9ANPC1MAPK1HSD17B10 | |
| SCHEMBL18922383 | 0.69 | KDM4E (0.53) | KDM4ELMNARAB9ANPC1MAPK1 | |
| SCHEMBL363209 | 0.69 | NPC1 (0.56) | KDM4ELMNARAB9ANPC1PDE10A | |
| SCHEMBL3594951 | 0.68 | KDM4E (0.51) | KDM4ERAB9ANPC1MAPK1HSD17B10 | |
| SCHEMBL29967853 | 0.68 | KDM4E (0.51) | KDM4ERAB9ANPC1MAPK1HSD17B10 | |
| SCHEMBL10099710 | 0.67 | PDE10A (0.50) | KDM4ELMNARAB9APDE10AHSD17B10 |
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-2012007006-A1 | TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR | H. LUNDBECK A/S (DK) | 2012-01-19 | — | — | WO | disclosed |