Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850187 | 0.79 | PTGS1 (0.56) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2846683 | 0.77 | KCNH2 (0.56) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL4597258 | 0.76 | APP (0.72) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2845480 | 0.76 | PSEN1 (0.50) | APPAKR1C3AKR1C2AKR1C1AKR1B10 | |
| SCHEMBL4597844 | 0.74 | APP (0.72) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2849874 | 0.72 | KCNH2 (0.70) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2849888 | 0.71 | APP (0.44) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2849438 | 0.70 | KCNH2 (0.70) | APPCYP3A4CYP2C9CYP2C19AKR1C3 | |
| SCHEMBL2846830 | 0.70 | KCNH2 (0.68) | APPAKR1C3AKR1C2KCNH2PTGS1 | |
| SCHEMBL2847979 | 0.70 | APP (0.45) | APPCYP3A4CYP2C9CYP2C19AKR1C3 |
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-2010138901-A1 | CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE | BIOGEN IDEC MA INC (US) | 2010-12-02 | — | — | WO | claimed |