Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5599646 | 0.76 | AGTR2 (0.34) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13689881 | 0.72 | KDM1A (0.37) | CYP3A4CYP2C9 | |
| SCHEMBL4116754 | 0.72 | ACE (0.35) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4116886 | 0.72 | HSD11B1 (0.41) | HDAC1HDAC8HDAC6NR1H2RXRA | |
| Hydrochloric Acid SCHEMBL1747690 | 0.71 | NOTUM (0.34) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3994423 | 0.69 | DPP9 (0.35) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5599645 | 0.69 | NOTUM (0.51) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4124959 | 0.69 | HSD11B1 (0.39) | — | |
| SCHEMBL5578840 | 0.67 | DPP9 (0.44) | USP2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5578573 | 0.66 | HDAC1 (0.50) | HDAC1HDAC8HDAC6 |
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 |