Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 8/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6992997 | 0.83 | CES2 (0.39) | — | |
| SCHEMBL1701126 | 0.80 | SHBG (0.50) | ERN1SHBG | |
| SCHEMBL3810720 | 0.77 | CYP3A4 (0.42) | ERN1 | |
| SCHEMBL15687876 | 0.76 | BACE1 (0.38) | ADRB2 | |
| SCHEMBL4709591 | 0.76 | CES2 (0.38) | ERN1 | |
| SCHEMBL21495061 | 0.76 | CES2 (0.38) | ERN1 | |
| SCHEMBL998053 | 0.75 | CES2 (0.42) | SHBG | |
| SCHEMBL2464415 | 0.75 | TUBB1 (0.38) | — | |
| SCHEMBL4063849 | 0.72 | KDM1A (0.33) | SHBG | |
| SCHEMBL5486067 | 0.71 | GABBR2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3036221-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015048507-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |