Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.62 |
| ▸ | HRH1 | P35367 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7129264 | 0.80 | POLB (0.45) | TSHR | |
| SCHEMBL28053814 | 0.79 | CYP2D6 (0.42) | HTR2AHRH1L3MBTL1CYP2D6TSHR | |
| SCHEMBL4858092 | 0.79 | NAAA (0.41) | HTR2ASIGMAR1OPRM1OPRK1LMNA | |
| SCHEMBL28292762 | 0.78 | TAAR1 (0.52) | HTR2AHRH1SLC6A4KMT2AL3MBTL1 | |
| SCHEMBL28113806 | 0.77 | HTR2A (1.00) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL25273765 | 0.77 | NAAA (0.43) | HTR2ASIGMAR1OPRM1OPRK1 | |
| SCHEMBL22471827 | 0.77 | NAAA (0.43) | HTR2ASIGMAR1OPRM1OPRK1 | |
| SCHEMBL8351977 | 0.77 | NAAA (0.43) | HTR2ASIGMAR1OPRM1OPRK1 | |
| SCHEMBL22471869 | 0.77 | NAAA (0.43) | HTR2ASIGMAR1OPRM1OPRK1 | |
| SCHEMBL22471836 | 0.77 | NAAA (0.43) | HTR2ASIGMAR1OPRM1OPRK1 |
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-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |