Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR1 | P21462 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968389 | 0.90 | ALDH1A1 (0.45) | ALDH1A1SAE1UBA2MAPTNPC1 | |
| SCHEMBL4966159 | 0.89 | BRPF1 (0.40) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL4967778 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SAE1UBA2MAPTNPC1 | |
| SCHEMBL4967755 | 0.83 | MAPT (0.44) | FPR1ALDH1A1SAE1UBA2MAPT | |
| SCHEMBL4965236 | 0.82 | PDE4A (0.45) | ALDH1A1SAE1UBA2MAPTHSD17B1 | |
| SCHEMBL4966869 | 0.81 | RXFP1 (0.45) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL1252277 | 0.80 | GABRA1 (0.44) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL4968294 | 0.77 | HTR2A (0.39) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4966904 | 0.77 | PDE4D (0.42) | — | |
| SCHEMBL4966888 | 0.77 | PDE4D (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008101938-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008101938-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-28 | — | — | WO | disclosed |