Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6063975 | 0.80 | TAAR1 (0.50) | TAAR1GRM5AOC3RIPK1HTR2A | |
| SCHEMBL6014502 | 0.74 | TAAR1 (0.57) | TAAR1GRM5AOC3RIPK1HTR2A | |
| SCHEMBL3627864 | 0.73 | TAAR1 (0.60) | TAAR1AOC3RIPK1TRPA1HRH1 | |
| SCHEMBL6014574 | 0.72 | TAAR1 (0.54) | TAAR1GRM5AOC3RIPK1HTR2A | |
| SCHEMBL2480450 | 0.70 | TAAR1 (0.47) | TAAR1 | |
| SCHEMBL18244887 | 0.69 | GRM5 (0.50) | TAAR1GRM5AOC3RIPK1HTR2A | |
| SCHEMBL19374761 | 0.66 | TAAR1 (0.56) | TAAR1AOC3RIPK1HTR2ATRPA1 | |
| SCHEMBL23336071 | 0.66 | TAAR1 (0.67) | TAAR1AOC3RIPK1HTR2ATRPA1 | |
| SCHEMBL1281 | 0.66 | TAAR1 (0.67) | TAAR1AOC3RIPK1HTR2ATRPA1 | |
| SCHEMBL5791734 | 0.66 | TAAR1 (0.67) | TAAR1AOC3RIPK1HTR2ATRPA1 |
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-2217549-A2 | COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009052970-A2 | COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-04-30 | — | — | WO | disclosed |