Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14382099 | 0.89 | DRD2 (0.37) | HTR3AHTR2CHTR2A | |
| SCHEMBL13366336 | 0.88 | SLC18A3 (0.38) | HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL14143228 | 0.84 | CHRNB4 (0.32) | — | |
| SCHEMBL13985232 | 0.72 | — | — | |
| SCHEMBL5831146 | 0.68 | — | — | |
| SCHEMBL9294037 | 0.67 | ESR2 (0.37) | — | |
| SCHEMBL18945740 | 0.66 | HTR2A (0.39) | HTR3APDE4BHTR2CHTR2A | |
| SCHEMBL12918305 | 0.65 | — | — | |
| SCHEMBL15468603 | 0.64 | MEN1 (0.38) | — | |
| SCHEMBL5792001 | 0.64 | HTR3A (0.38) | HTR3AHTR2CHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |