Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 5/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16600897 | 0.77 | IDO1 (0.53) | GRIN2BSLC18A3SIGMAR1 | |
| SCHEMBL17073447 | 0.76 | RIPK1 (0.53) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D | |
| SCHEMBL16601319 | 0.71 | GRIN2B (1.00) | GRIN2BGRIN1 | |
| SCHEMBL16608307 | 0.71 | GRIN2B (1.00) | GRIN2BGRIN1 | |
| SCHEMBL5689684 | 0.69 | GRIN2B (0.45) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D | |
| SCHEMBL5689681 | 0.69 | GRIN2B (0.45) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D | |
| SCHEMBL8029809 | 0.69 | SLC18A3 (0.56) | SLC18A3ESR2SIGMAR1ESR1CYP3A4 | |
| SCHEMBL26999319 | 0.69 | SLC18A3 (0.56) | SLC18A3ESR2SIGMAR1ESR1CYP3A4 | |
| SCHEMBL8029813 | 0.69 | SLC18A3 (0.56) | SLC18A3ESR2SIGMAR1ESR1CYP3A4 | |
| SCHEMBL766285 | 0.69 | AKR1C3 (0.53) | — |
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 |