Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30173724 | 0.87 | PNMT (0.50) | PNMTPIK3CATSHRCA2KMT2A | |
| SCHEMBL10137781 | 0.87 | PNMT (0.50) | PNMTPIK3CATSHRCA2KMT2A | |
| SCHEMBL3640494 | 0.86 | CA2 (0.45) | CA2 | |
| SCHEMBL3637432 | 0.81 | IDO1 (0.48) | KMT2A | |
| Methyl Alcohol SCHEMBL7045180 | 0.79 | CA2 (0.67) | PIK3CATSHRCA2KMT2A | |
| SCHEMBL283587 | 0.79 | CA2 (0.71) | PIK3CATSHRCA2KMT2A | |
| SCHEMBL1136782 | 0.77 | TSHR (0.53) | PNMTPIK3CATSHRCA2KMT2A | |
| Methane SCHEMBL7951771 | 0.77 | CA2 (0.69) | PIK3CATSHRCA2KMT2A | |
| Hydrochloric Acid SCHEMBL2530252 | 0.77 | CA2 (0.69) | PIK3CATSHRCA2KMT2A | |
| SCHEMBL10644267 | 0.77 | — | — |
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-2155740-A1 | HETARYLANILINES AS MODULATORS FOR AMYLOID BETA | F. Hoffmann-Roche AG (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008138753-A1 | HETARYLANILINES AS MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-20 | — | — | WO | disclosed |