Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.41 |
| ▸ | HTR2B | P41595 | 6/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17506488 | 0.83 | CALCRL (0.38) | NOTUMPARP1 | |
| SCHEMBL17525092 | 0.81 | GFER (0.37) | HTR2CHTR2BHTR2ANOTUMPARP1 | |
| SCHEMBL17524897 | 0.81 | CHRM3 (0.36) | HTR2CHTR2BHTR2ANOTUMKDM4E | |
| SCHEMBL17525091 | 0.80 | GPR119 (0.45) | DDB1CRBNKDM4E | |
| SCHEMBL17506421 | 0.78 | SIRT6 (0.39) | CRBNALDH1A1 | |
| SCHEMBL651023 | 0.76 | HTR2C (0.49) | HTR2CHTR2BHTR2APARP1 | |
| SCHEMBL30178303 | 0.76 | HTR2C (0.49) | HTR2CHTR2BHTR2APARP1 | |
| SCHEMBL13884718 | 0.75 | TNKS (0.46) | HTR2CHTR2BHTR2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1819629 | 0.75 | HTR2C (0.48) | HTR2CHTR2BHTR2APARP1 | |
| SCHEMBL13999790 | 0.72 | MAPK1 (0.39) | HTR2CHTR2BHTR2A |
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 2 patents. 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 |
| WO-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |