Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 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) | PTGS1PTGS2GPBAR1HTR7GABRA5 | |
| SCHEMBL8243215 | 0.84 | GPBAR1 (0.43) | PTGS1PTGS2GPBAR1HTR7GABRA5 | |
| SCHEMBL8252451 | 0.82 | TP53 (0.46) | PTGS2GPBAR1ALDH1A1PKMMAPT | |
| SCHEMBL12188518 | 0.79 | ALDH1A1 (0.50) | PTGS1PTGS2GPBAR1ALDH1A1PKM | |
| SCHEMBL8250438 | 0.77 | HTR1D (0.38) | PTGS1PTGS2GPBAR1HTR7ALDH1A1 | |
| SCHEMBL17055597 | 0.76 | PTGS1 (0.69) | PTGS1PTGS2GPBAR1HTR7GHSR | |
| SCHEMBL14318699 | 0.74 | KDM4E (0.41) | PTGS1PTGS2MAPTTP53CYP1A2 | |
| SCHEMBL2281848 | 0.73 | PTGS2 (1.00) | PTGS1PTGS2GPBAR1HTR7ALDH1A1 | |
| SCHEMBL8251665 | 0.72 | PTGS2 (0.57) | PTGS1PTGS2GPBAR1MAPTNPC1 | |
| SCHEMBL11517320 | 0.72 | GPBAR1 (0.66) | PTGS1PTGS2GPBAR1GHSRGABRA5 |
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 |