Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524885 | 0.90 | CALCRL (0.38) | CHRM3CALCRLCYP1A2DRD4ALDH1A1 | |
| SCHEMBL17525071 | 0.83 | IDH1 (0.38) | CHRM3MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17525000 | 0.83 | CALCRL (0.35) | CALCRLMAPK1ALKCHRNA7DPP4 | |
| SCHEMBL13999790 | 0.81 | MAPK1 (0.39) | CALCRLMAPK1CYP3A4TSHRNFKB1 | |
| Hydrochloric Acid SCHEMBL5107756 | 0.80 | MAPK1 (0.38) | CALCRLMAPK1CYP3A4TSHRNFKB1 | |
| SCHEMBL4226700 | 0.79 | CALCRL (0.44) | CALCRLDPP4 | |
| SCHEMBL17525017 | 0.79 | CHRM3 (0.37) | CHRM3CALCRLMAPK1CHRNA7L3MBTL3 | |
| SCHEMBL17525115 | 0.79 | CHRM3 (0.35) | CHRM3CALCRLL3MBTL3L3MBTL1GFER | |
| SCHEMBL17525062 | 0.78 | ALK (0.36) | CALCRLALKDPP4GFER | |
| SCHEMBL17524897 | 0.77 | CHRM3 (0.36) | CHRM3CALCRLALDH1A1L3MBTL3L3MBTL1 |
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 |