Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13852044 | 0.97 | TAAR1 (0.41) | TAAR1RIPK1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL1416399 | 0.97 | TAAR1 (0.41) | TAAR1RIPK1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL8090925 | 0.97 | TAAR1 (0.41) | TAAR1RIPK1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL27744643 | 0.85 | ALDH1A1 (0.37) | LMNAKDM4EALDH1A1 | |
| SCHEMBL19706344 | 0.84 | PTGS2 (0.48) | ALDH1A1 | |
| SCHEMBL24682880 | 0.80 | HTR2A (0.42) | TAAR1ADRA2CLMNASIGMAR1ADRA1A | |
| SCHEMBL13563587 | 0.80 | RIPK1 (0.43) | TAAR1RIPK1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL12346316 | 0.79 | LTA4H (0.47) | ALDH1A1 | |
| SCHEMBL12354676 | 0.79 | LTA4H (0.47) | ALDH1A1 | |
| SCHEMBL16785292 | 0.77 | PTPN5 (0.41) | CYP2D6LMNAHIF1AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101421243-B | Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO KG | 2012-05-30 | — | — | CN | disclosed |
| CN-101421243-A | Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO KG (DE) | 2009-04-29 | — | — | CN | disclosed |