Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11338231 | 0.82 | CYP2D6 (0.47) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL2680385 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL11121870 | 0.80 | NPSR1 (0.45) | CYP2D6CYP2C19NPC1RAB9AKMT2A | |
| SCHEMBL2741387 | 0.79 | MGLL (0.53) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL9753625 | 0.79 | CA12 (0.53) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL9259760 | 0.78 | LMNA (0.55) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL12574808 | 0.78 | CYP2D6 (0.43) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL762423 | 0.74 | ALDH1A1 (0.50) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL243741 | 0.74 | POLB (0.51) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL14344896 | 0.74 | CYP2D6 (0.47) | CYP2D6CYP2C19LIPECHRM2ADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0893441-B1 | Process for the production of pyridyl methylisothiocyanate | BAYER CROPSCIENCE AG (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-4266003-A | Silver halide photographic emulsions | FUJI PHOTO FILM CO., LTD. (JP) | 1981-05-05 | — | — | US | disclosed |
| US-4044127-A | RICE, TOMATOES, APPLES, RICE BLAST, APPLE SCAB, TOMATO LATE BLIGHT | AMERICAN CYANAMIDE COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4029652-A | FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1977-06-14 | — | — | US | disclosed |