Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13997425 | 0.88 | ACHE (0.39) | ALDH1A1MAPTKMT2A | |
| SCHEMBL13997663 | 0.86 | HTR2A (0.40) | DRD3KCNH2DRD2HTR1AHTR2A | |
| SCHEMBL13997661 | 0.83 | OPRM1 (0.40) | DRD3POLBALDH1A1LMNAMAPK1 | |
| SCHEMBL13253244 | 0.81 | HTR7 (0.58) | DRD3KCNH2POLBALDH1A1LMNA | |
| SCHEMBL16602182 | 0.80 | DRD3 (0.52) | DRD3KCNH2POLBALDH1A1LMNA | |
| SCHEMBL13997465 | 0.78 | MAOB (0.34) | ALDH1A1LMNAHTR1AMAPT | |
| SCHEMBL13997664 | 0.77 | MMP13 (0.40) | ALDH1A1 | |
| SCHEMBL13997470 | 0.74 | MAOA (0.34) | — | |
| SCHEMBL13997473 | 0.74 | ADORA2A (0.35) | ALDH1A1MAPK1 | |
| SCHEMBL13997426 | 0.73 | BACE1 (0.34) | — |
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-2008153849-A1 | CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-12-18 | — | — | WO | disclosed |