Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1779002 | 0.73 | CYP11B2 (0.37) | BACE1HRH3RAB9A | |
| SCHEMBL28782561 | 0.72 | PTGDR2 (0.33) | RAB9A | |
| SCHEMBL357838 | 0.72 | CEL (0.37) | RAB9ANPSR1 | |
| SCHEMBL5581551 | 0.71 | TDO2 (0.34) | — | |
| SCHEMBL28342563 | 0.71 | HDAC8 (0.36) | BACE1 | |
| SCHEMBL5049395 | 0.71 | F2 (0.44) | NUDT1BACE1HRH3LOXL2RAB9A | |
| SCHEMBL22291710 | 0.71 | F2 (0.44) | NUDT1BACE1HRH3LOXL2RAB9A | |
| SCHEMBL13660206 | 0.71 | F2 (0.44) | NUDT1BACE1HRH3LOXL2RAB9A | |
| Hydrochloric Acid SCHEMBL249864 | 0.69 | F2 (0.43) | NUDT1BACE1CSNK2A1HRH3LOXL2 | |
| SCHEMBL16553462 | 0.69 | PTGDR2 (0.30) | RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101151249-B | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER PRODUCTS INC. (US) | 2011-04-06 | — | — | CN | disclosed |
| CN-101151249-A | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER (US) | 2008-03-26 | — | — | CN | disclosed |