Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 4/20 | 0.57 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13068678 | 0.80 | PDE7A (0.67) | PDE7APLD1AKR1B1CRBN | |
| SCHEMBL17524922 | 0.80 | SCN9A (0.55) | SCN9ACRBNDDB1ALDH1A1MAPT | |
| SCHEMBL17525068 | 0.80 | HTR7 (0.60) | HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524916 | 0.78 | SCN9A (0.43) | SCN9AHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL9912018 | 0.77 | PDE7A (0.67) | PDE7APLD1AKR1B1CRBNKDM4E | |
| SCHEMBL17525051 | 0.75 | MAPT (0.47) | PLD1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL14156534 | 0.74 | PDE7A (0.61) | PDE7APLD1AKR1B1CRBN | |
| SCHEMBL29793337 | 0.74 | PDE7A (1.00) | PDE7AAKR1B1 | |
| SCHEMBL299646 | 0.74 | PDE7A (1.00) | PDE7AAKR1B1 | |
| SCHEMBL1743736 | 0.72 | PDE7A (0.73) | PDE7APLD1AKR1B1 |
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 |