Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608278 | 0.88 | HTR2A (0.34) | HTR2ADRD2HRH1 | |
| SCHEMBL6970317 | 0.83 | HTR2A (0.32) | HTR2AHRH1 | |
| SCHEMBL11503546 | 0.81 | HTR2A (0.35) | HTR2ADRD2HTR2CHRH1 | |
| SCHEMBL6970314 | 0.74 | CYP2D6 (0.34) | CYP2D6ALDH1A1CYP1A2CYP2C19HTR2A | |
| SCHEMBL2641527 | 0.71 | HTR6 (0.46) | CYP2D6HTR2ADRD2SLC6A2HTR2C | |
| SCHEMBL29546963 | 0.71 | HTR6 (0.46) | CYP2D6HTR2ADRD2SLC6A2HTR2C | |
| SCHEMBL11010687 | 0.71 | SLC22A1 (0.42) | HTR2AHRH1SIGMAR1 | |
| SCHEMBL1614523 | 0.70 | NFKB1 (0.39) | ALDH1A1CYP1A2 | |
| SCHEMBL10359804 | 0.70 | HTR6 (0.45) | CYP2D6HTR2ADRD2SLC6A2HTR2C | |
| SCHEMBL6674209 | 0.70 | HTR6 (0.45) | CYP2D6HTR2ADRD2SLC6A2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999058490-A3 | NOVEL ARYL-HYDRO NAPHTHALENAL KANAMINES | AKZO NOBEL NV (NL) | 2000-01-20 | — | — | WO | disclosed |
| WO-1999058490-A2 | NOVEL ARYL-HYDRO NAPHTHALENAL KANAMINES | AKZO NOBEL N.V. (NL) | 1999-11-18 | — | — | WO | disclosed |