Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4963831 | 0.84 | TSHR (0.47) | HIF1ATP53TSHR | |
| SCHEMBL22800995 | 0.84 | TSHR (0.47) | HIF1ATP53TSHR | |
| SCHEMBL1700933 | 0.76 | GSK3B (0.46) | HSD11B1TSHRPDE2A | |
| SCHEMBL21834675 | 0.73 | ESR1 (0.44) | CYP2D6CYP2C9HIF1ATSHR | |
| SCHEMBL21597319 | 0.73 | CYP2A6 (0.42) | — | |
| SCHEMBL2468299 | 0.73 | CYP2A6 (0.42) | — | |
| SCHEMBL1505157 | 0.73 | TYR (0.54) | CYP2D6CYP2C9HIF1A | |
| SCHEMBL1696263 | 0.73 | ESR1 (0.44) | CYP2D6CYP2C9HIF1ATSHR | |
| SCHEMBL16212189 | 0.72 | MAPK1 (0.45) | CYP2C9TP53TSHR | |
| SCHEMBL6933846 | 0.72 | OPRD1 (0.43) | OPRD1CYP2D6CYP2C9HIF1AHSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3461827-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2019-04-03 | — | — | EP | disclosed |
| 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 |