Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24136437 | 1.00 | ESR1 (0.43) | ESR1ESR2OPRM1OPRD1OPRK1 | |
| SCHEMBL22239201 | 0.90 | HRH3 (0.47) | OPRM1OPRD1OPRK1HRH3 | |
| SCHEMBL13755814 | 0.82 | SLC6A3 (0.58) | HRH3ACHE | |
| SCHEMBL7383115 | 0.79 | HTR2A (0.49) | — | |
| SCHEMBL7383109 | 0.79 | HTR2A (0.49) | — | |
| SCHEMBL22239231 | 0.79 | L3MBTL3 (0.38) | HRH3MBTD1L3MBTL3L3MBTL1 | |
| SCHEMBL7383573 | 0.79 | HRH3 (0.58) | OPRM1OPRD1OPRK1HRH3ACHE | |
| SCHEMBL7385498 | 0.79 | HRH3 (0.58) | OPRM1OPRD1OPRK1HRH3ACHE | |
| SCHEMBL7383578 | 0.79 | HRH3 (0.58) | OPRM1OPRD1OPRK1HRH3ACHE | |
| SCHEMBL12642618 | 0.78 | ESR1 (0.42) | ESR1ESR2OPRM1OPRD1OPRK1 |
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-3683207-B1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | CADENT THERAPEUTICS INC (US) | 2021-12-29 | — | — | EP | disclosed |
| EP-3683207-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |