Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704482 | 0.88 | ALDH1A1 (0.42) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL21119171 | 0.83 | ALDH1A1 (0.36) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL4077267 | 0.80 | ALDH1A1 (0.35) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL16728265 | 0.80 | ALDH1A1 (0.35) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL29645202 | 0.79 | GLA (0.40) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL17586310 | 0.78 | — | — | |
| SCHEMBL2451039 | 0.78 | NPSR1 (0.46) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| Isothiocyanate SCHEMBL27733961 | 0.78 | ALDH1A1 (0.40) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL3213105 | 0.76 | NPSR1 (0.45) | NPSR1ALDH1A1L3MBTL1GLAPOLB | |
| SCHEMBL9958450 | 0.76 | NPSR1 (0.45) | NPSR1ALDH1A1L3MBTL1GLAPOLB |
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-2654422-A1 | BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME | H. Lundbeck A/S (DK) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088365-A1 | BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2012-06-28 | — | — | WO | disclosed |