Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 5/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.33 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17736137 | 0.88 | CYP2C9 (0.32) | KDM1ACYP11B1CYP11B2APPCHEK1 | |
| SCHEMBL17736111 | 0.86 | CYP2C9 (0.43) | ESR2CYP11B1CYP11B2APPCHEK1 | |
| SCHEMBL17736107 | 0.84 | CYP2C9 (0.37) | ESR2APPCHEK1TRPC3TRPC6 | |
| SCHEMBL17736112 | 0.83 | CYP2C9 (0.36) | ESR2KDM4D | |
| SCHEMBL14274413 | 0.79 | KDM1A (0.43) | ESR2KDM1ACYP11B1CYP11B2CHEK1 | |
| SCHEMBL31343 | 0.79 | KDM1A (0.43) | ESR2KDM1ACYP11B1CYP11B2CHEK1 | |
| SCHEMBL18193741 | 0.79 | CYP11B1 (0.44) | CYP11B1CYP11B2TRPV4S1PR3S1PR1 | |
| SCHEMBL12735157 | 0.78 | PDE2A (0.45) | ESR2 | |
| SCHEMBL14649655 | 0.77 | CYP11B1 (0.47) | ESR2KDM1ACYP11B1CYP11B2 | |
| SCHEMBL14228793 | 0.76 | KDM1A (0.41) | ESR2KDM1ACYP11B1CYP11B2CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8822519-B2 | Compound with agitation effect on peroxisome proliferator-activated receptor process for its preparation and use thereof | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2014-09-02 | — | — | US | disclosed |
| EP-1116770-B1 | NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME | DAINIPPON INK & CHEMICALS (JP) | 2008-04-02 | — | — | EP | disclosed |