Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 3/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9876420 | 0.94 | ADRA1D (0.44) | ADRA1DADRA1AADRA1BUSP2POLB | |
| Oxalic Acid SCHEMBL9876418 | 0.94 | ADRA1D (0.44) | ADRA1DADRA1AADRA1BUSP2POLB | |
| Fumaric Acid SCHEMBL9630586 | 0.94 | ADRA1D (0.41) | ADRA1DADRA1AADRA1BUSP2POLB | |
| SCHEMBL9565023 | 0.87 | USP2 (0.43) | ADRA1DADRA1AADRA1BUSP2POLB | |
| SCHEMBL9630536 | 0.82 | MEN1 (0.42) | ADRA1DADRA1AUSP2ADRA2AADRA2B | |
| SCHEMBL9629492 | 0.82 | MEN1 (0.41) | ADRA1DADRA1AUSP2ADRA2AADRA2B | |
| SCHEMBL9630174 | 0.80 | MEN1 (0.39) | ADRA1DADRA1AUSP2ADRA2AADRA2B | |
| SCHEMBL9538250 | 0.79 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BUSP2POLB | |
| SCHEMBL9629623 | 0.79 | WHR1 (0.39) | POLBTSHRGBA1 | |
| SCHEMBL9687066 | 0.79 | RET (0.39) | TSHR |
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-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |
| US-5071846-A | Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-12-10 | — | — | US | disclosed |
| EP-0297661-A1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-04 | — | — | EP | disclosed |