Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | P4HB | P07237 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL1994268 | 0.86 | ACHE (0.45) | CYP2D6MEN1KMT2AHTR1AHTR2B | |
| SCHEMBL2003455 | 0.83 | ACHE (0.48) | CYP2D6MEN1KMT2AOPRD1HTR1A | |
| SCHEMBL336219 | 0.81 | CYP2D6 (0.67) | CYP2D6CYP19A1MEN1KMT2AP4HB | |
| SCHEMBL16226147 | 0.80 | MEN1 (0.67) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL11989483 | 0.80 | MEN1 (0.62) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL1999526 | 0.79 | ROCK2 (0.39) | MEN1KMT2AP4HBOPRD1ACHE | |
| SCHEMBL1978131 | 0.79 | CYP2D6 (0.66) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL3323482 | 0.77 | ACHE (0.39) | ACHEPOLB | |
| SCHEMBL11193886 | 0.76 | CYP2D6 (0.56) | CYP2D6CYP19A1MEN1KMT2AP4HB | |
| SCHEMBL1138320 | 0.75 | MEN1 (0.79) | CYP2D6CYP19A1MEN1KMT2AOPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611122-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089932-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |