Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 16/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525107 | 0.89 | GFER (0.38) | IDH1NR1I2CHRM3 | |
| SCHEMBL17525016 | 0.83 | CHRM3 (0.38) | CHRM3MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13451396 | 0.80 | HTR2C (0.43) | IDH1MAPK1 | |
| Hydrochloric Acid SCHEMBL3259793 | 0.79 | HTR2C (0.42) | IDH1MAPK1 | |
| Hydrochloric Acid SCHEMBL3259867 | 0.79 | HTR2C (0.42) | IDH1MAPK1 | |
| SCHEMBL5101307 | 0.78 | CALCRL (0.42) | IDH1 | |
| SCHEMBL17525115 | 0.78 | CHRM3 (0.35) | CHRM3 | |
| SCHEMBL17524885 | 0.73 | CALCRL (0.38) | CHRM3CYP1A2DRD4ALDH1A1KMT2A | |
| SCHEMBL3256867 | 0.72 | GPR119 (0.48) | IDH1 | |
| SCHEMBL17524896 | 0.72 | CHRM3 (0.43) | CHRM3ALDH1A1KMT2A |
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 |