Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11811858 | 0.81 | HCAR3 (0.37) | ALDH1A1POLBHTTNPSR1GAA | |
| SCHEMBL18121625 | 0.76 | TSHR (0.36) | TSHRALDH1A1L3MBTL1OPRM1OPRL1 | |
| SCHEMBL11815714 | 0.73 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1POLBNPSR1GAA | |
| SCHEMBL11813577 | 0.72 | ALPG (0.41) | TSHRALDH1A1L3MBTL1HTTNPSR1 | |
| SCHEMBL9341766 | 0.72 | CYP1A2 (0.39) | TSHRALDH1A1OPRM1OPRL1LMNA | |
| SCHEMBL11806668 | 0.72 | CYP2C19 (0.36) | ALDH1A1L3MBTL1POLBHTTGAA | |
| Fumaric Acid SCHEMBL11808000 | 0.71 | SLC6A2 (0.34) | ALDH1A1OPRM1SIGMAR1SLC6A3 | |
| SCHEMBL14778433 | 0.71 | CYP2D6 (0.37) | TSHRALDH1A1L3MBTL1OPRM1OPRL1 | |
| SCHEMBL11775050 | 0.70 | MAPT (0.42) | ALDH1A1L3MBTL1POLBHTTNPSR1 | |
| SCHEMBL2160390 | 0.70 | ALDH1A1 (0.33) | TSHRALDH1A1L3MBTL1 |
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-2379553-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010083141-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-22 | — | — | WO | disclosed |