Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 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 | |
|---|---|---|---|---|
| SCHEMBL6079642 | 0.85 | KCNA3 (0.53) | CYP2D6HRH1ALDH1A1KCNA3SIGMAR1 | |
| SCHEMBL6079635 | 0.85 | KCNA3 (0.53) | CYP2D6HRH1ALDH1A1KCNA3SIGMAR1 | |
| SCHEMBL6080224 | 0.85 | KCNA3 (0.53) | CYP2D6HRH1ALDH1A1KCNA3SIGMAR1 | |
| SCHEMBL9595556 | 0.81 | KCNA3 (0.47) | CYP2D6ALDH1A1KCNA3SIGMAR1KDM4E | |
| SCHEMBL10748973 | 0.80 | KCNA3 (0.50) | CYP2D6ALDH1A1KCNA3SIGMAR1GRIN2B | |
| SCHEMBL28338145 | 0.77 | KMT2A (0.57) | ALDH1A1KCNA3KDM4EGRM2GRM3 | |
| Hydrochloric Acid SCHEMBL28637829 | 0.75 | KMT2A (0.46) | CYP2D6ALDH1A1KCNA3GRM2GRM3 | |
| SCHEMBL6079142 | 0.73 | KCNA3 (0.64) | CYP2D6KCNA3SIGMAR1 | |
| SCHEMBL6079135 | 0.73 | KCNA3 (0.64) | CYP2D6KCNA3SIGMAR1 | |
| SCHEMBL6079873 | 0.73 | KCNA3 (0.64) | CYP2D6KCNA3SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008060767-A2 | MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |