Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | HTR7 | P34969 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9807580 | 0.85 | ACHE (0.40) | ACHEHTR7HTR1AHTR6HTR2A | |
| SCHEMBL9592174 | 0.84 | ACHE (0.59) | ACHEHTR7HTR1AHTR6HTR2A | |
| SCHEMBL9593278 | 0.83 | ACHE (0.42) | ACHEHTR7HTR1AKDM4EHTR2A | |
| Hydrochloric Acid SCHEMBL9593900 | 0.83 | ACHE (0.41) | ACHEHTR7HTR1AKDM4EHTR2A | |
| Oxalic Acid SCHEMBL9592990 | 0.80 | NPY2R (0.37) | ACHEHTR7HTR1AHTR6 | |
| SCHEMBL9807574 | 0.78 | DRD2 (0.47) | ACHEHTR7HTR1AHTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL9594062 | 0.78 | KDM1A (0.43) | ACHEHTR7HTR1AHTR6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9592944 | 0.77 | DRD2 (0.46) | ACHEHTR7HTR1AHTR2ADRD2 | |
| Methyl Alcohol SCHEMBL9591993 | 0.76 | DRD2 (0.45) | ACHEKDM4EHTR2ADRD2HTR2C | |
| SCHEMBL9807583 | 0.76 | LTA4H (0.56) | ACHEHTR7HTR1AHTR6HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5032598-A | Nitrogens containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1991-07-16 | — | — | US | claimed |