Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524897 | 0.89 | CHRM3 (0.36) | GFERCHRM3ALDH1A1KDM4EUSP30 | |
| SCHEMBL17506421 | 0.86 | SIRT6 (0.39) | ALDH1A1MAPTLMNACRBNMEN1 | |
| SCHEMBL17506465 | 0.81 | HTR2C (0.41) | CHRM3ALDH1A1KDM4EPARP1DDB1 | |
| SCHEMBL17506480 | 0.80 | GFER (0.43) | GFERCHRM3ALDH1A1MAPTKDM4E | |
| SCHEMBL17506488 | 0.79 | CALCRL (0.38) | PARP1PARP2TNKSNOTUM | |
| SCHEMBL17525017 | 0.74 | CHRM3 (0.37) | GFERCHRM3L3MBTL1 | |
| SCHEMBL17525058 | 0.74 | CTSS (0.46) | GFERCHRM3 | |
| SCHEMBL17525091 | 0.73 | GPR119 (0.45) | MAPTKDM4ETHRBDDB1CRBN | |
| SCHEMBL17506484 | 0.72 | BRD4 (0.40) | GFERCHRM3ALDH1A1MAPTKDM4E | |
| SCHEMBL17525107 | 0.70 | GFER (0.38) | GFERCHRM3 |
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 |