Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CCR3 | P51677 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599389 | 0.85 | GNRHR (0.40) | GNRHRKCNH2RXFP1HSD11B1CYP2C9 | |
| SCHEMBL5599374 | 0.85 | GNRHR (0.40) | GNRHRKCNH2RXFP1HSD11B1CYP2C9 | |
| SCHEMBL5786887 | 0.85 | GNRHR (0.41) | GNRHRKCNH2RXFP1HSD11B1P2RX7 | |
| SCHEMBL5599096 | 0.85 | GNRHR (0.41) | GNRHRKCNH2RXFP1HSD11B1P2RX7 | |
| SCHEMBL5599439 | 0.84 | GNRHR (0.37) | GNRHRKCNH2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL5600563 | 0.76 | TSHR (0.36) | ALDH1A1P2RX7 | |
| SCHEMBL5782306 | 0.76 | HTR2A (0.40) | GNRHRKCNH2HSD11B1CYP2C9CYP2C19 | |
| SCHEMBL5779582 | 0.75 | P2RX7 (0.41) | GNRHRKCNH2P2RX7 | |
| SCHEMBL5780777 | 0.75 | CHRM1 (0.40) | ALDH1A1 | |
| SCHEMBL5779253 | 0.74 | CHRM1 (0.38) | GNRHRKCNH2MAPK14P2RX7 |
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-2005063745-A9 | NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF | ARENA PHARM INC (US) | 2007-02-01 | — | — | WO | claimed |