Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 2/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.31 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525092 | 0.89 | GFER (0.37) | CHRM3KDM4EALDH1A1MEN1HTR2C | |
| SCHEMBL17506421 | 0.86 | SIRT6 (0.39) | ALDH1A1MEN1 | |
| SCHEMBL17525017 | 0.85 | CHRM3 (0.37) | CHRM3CALCRLL3MBTL3L3MBTL1GFER | |
| SCHEMBL17506465 | 0.81 | HTR2C (0.41) | CHRM3KDM4EALDH1A1HTR2CHTR2B | |
| SCHEMBL17506488 | 0.79 | CALCRL (0.38) | NOTUMCALCRLTNKSRORC | |
| SCHEMBL17525016 | 0.77 | CHRM3 (0.38) | CHRM3ALDH1A1CALCRLL3MBTL3L3MBTL1 | |
| SCHEMBL17525091 | 0.73 | GPR119 (0.45) | KDM4E | |
| SCHEMBL17524884 | 0.73 | CHRM3 (0.33) | CHRM3 | |
| SCHEMBL17525115 | 0.72 | CHRM3 (0.35) | CHRM3HTR2CHTR2BHTR2ACALCRL | |
| SCHEMBL17524896 | 0.70 | CHRM3 (0.43) | CHRM3ALDH1A1MEN1L3MBTL3L3MBTL1 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |