Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9110343 | 1.00 | NPC1 (0.31) | NPC1PKMKCNH2USP2ALDH1A1 | |
| SCHEMBL4718446 | 0.92 | — | — | |
| SCHEMBL357666 | 0.83 | — | — | |
| SCHEMBL2096263 | 0.80 | CYP1A2 (0.30) | — | |
| SCHEMBL21645767 | 0.80 | KCNH2 (0.52) | NPC1PKMKCNH2ALDH1A1TDP1 | |
| SCHEMBL21186452 | 0.80 | KCNH2 (0.52) | NPC1PKMKCNH2ALDH1A1TDP1 | |
| SCHEMBL27570888 | 0.80 | NPC1 (0.32) | NPC1PKMKCNH2HPGD | |
| SCHEMBL22266247 | 0.80 | TBXAS1 (0.36) | NPC1PKMKCNH2 | |
| SCHEMBL21645999 | 0.80 | TBXAS1 (0.36) | NPC1PKMKCNH2 | |
| SCHEMBL3028871 | 0.80 | NPC1 (0.31) | NPC1PKMKCNH2 |
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-2010043633-A1 | 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES | PALAU PHARMA, S. A. (ES) | 2010-04-22 | — | — | WO | disclosed |