Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 5/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524922 | 0.82 | SCN9A (0.55) | SCN9AMAPTALDH1A1LMNAKDM4E | |
| SCHEMBL17525096 | 0.82 | OTUD7B (0.57) | SCN9AMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17525068 | 0.79 | HTR7 (0.60) | HTR7HTR1AHTR2AHTR6 | |
| SCHEMBL17525106 | 0.78 | PDE7A (0.57) | SCN9AHTR7HTR1AHTR2AHTR6 | |
| SCHEMBL17350152 | 0.77 | PDE7A (0.42) | MAPTALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL17524925 | 0.76 | OTUD7B (0.53) | HTR7HTR1AHTR2AHTR6MAPT | |
| SCHEMBL17525047 | 0.75 | HTR7 (0.37) | HTR7HTR1AHTR2AHTR6MAPT | |
| SCHEMBL19225163 | 0.73 | PDE7A (0.47) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL14117661 | 0.73 | CRBN (0.60) | SCN9AUSP2CRBNDDB1 | |
| SCHEMBL30552358 | 0.72 | CRBN (0.56) | SCN9AALDH1A1KDM4EGAACRBN |
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 |