Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 10/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | IAPP | P10997 | 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 | |
|---|---|---|---|---|
| SCHEMBL9723201 | 1.00 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CHEK1CDK4 | |
| SCHEMBL7790587 | 0.85 | PTGS2 (0.40) | PTGS2NFE2L2ERN1CHEK1CDK4 | |
| SCHEMBL7790590 | 0.85 | PTGS2 (0.40) | PTGS2NFE2L2ERN1CHEK1CDK4 | |
| SCHEMBL29374409 | 0.83 | NFE2L2 (0.62) | NFE2L2TRPA1RELA | |
| SCHEMBL256659 | 0.83 | NFE2L2 (0.62) | NFE2L2TRPA1RELA | |
| SCHEMBL14416278 | 0.83 | NFE2L2 (0.62) | NFE2L2TRPA1RELA | |
| SCHEMBL15050711 | 0.83 | NFE2L2 (0.62) | NFE2L2TRPA1RELA | |
| SCHEMBL9419329 | 0.82 | PDE5A (0.38) | PTGS2NFE2L2IAPP | |
| SCHEMBL9419333 | 0.82 | PDE5A (0.38) | PTGS2NFE2L2IAPP | |
| SCHEMBL3715365 | 0.81 | NFE2L2 (0.41) | PTGS2NFE2L2ERN1TRPA1CES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |