Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 11/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8249375 | 0.86 | HTR7 (0.43) | GPBAR1HTR7GABRA5PTGS1PTGS2 | |
| SCHEMBL8250249 | 0.84 | PTGS1 (0.57) | GPBAR1HTR7GABRA5PTGS1PTGS2 | |
| SCHEMBL8249557 | 0.82 | PAX8 (0.38) | GABRA5PTGS1PTGS2BACE1CACNA1F | |
| SCHEMBL8252451 | 0.82 | TP53 (0.46) | GPBAR1PTGS2GRM5GAATSHR | |
| SCHEMBL8250273 | 0.77 | ADORA2A (0.35) | HTR7ADORA2AADORA1TSHR | |
| SCHEMBL8250438 | 0.77 | HTR1D (0.38) | GPBAR1HTR7PTGS1PTGS2CACNA1F | |
| SCHEMBL16720790 | 0.76 | GPBAR1 (0.50) | GPBAR1HTR7GABRA5PTGS1PTGS2 | |
| SCHEMBL12188518 | 0.73 | ALDH1A1 (0.50) | GPBAR1PTGS1PTGS2GAATSHR | |
| SCHEMBL8251665 | 0.72 | PTGS2 (0.57) | GPBAR1PTGS1PTGS2TSHR | |
| SCHEMBL1777407 | 0.70 | GABRA5 (0.51) | GPBAR1HTR7GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |