Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30394105 | 0.79 | RAB9A (0.56) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL12275979 | 0.79 | NPC1 (0.56) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL21962944 | 0.79 | NPC1 (0.52) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL29790760 | 0.79 | NPC1 (0.52) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30393387 | 0.79 | RAB9A (0.59) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30393557 | 0.79 | NPC1 (0.71) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30392832 | 0.76 | RAB9A (0.52) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30394083 | 0.74 | RAB9A (0.54) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30393089 | 0.74 | NPC1 (0.58) | NPC1RAB9AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30393045 | 0.72 | NPC1 (0.59) | NPC1RAB9AHSD17B10KDM4EMAPT |
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 |