Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968294 | 0.86 | HTR2A (0.39) | SMN1; SMN2ALDH1A1HTR2A | |
| SCHEMBL1252319 | 0.84 | ALDH1A1 (0.44) | SMN1; SMN2POLBALDH1A1GAAHTR2A | |
| SCHEMBL14116545 | 0.83 | MAPT (0.39) | SMN1; SMN2POLBDHFRALDH1A1GAA | |
| SCHEMBL4967384 | 0.80 | SNCA (0.37) | ALDH1A1HSD17B10 | |
| SCHEMBL4968181 | 0.77 | POLB (0.38) | CSNK2A1POLBALDH1A1GAAMEN1 | |
| SCHEMBL4966913 | 0.77 | NPC1 (0.36) | SMN1; SMN2DHFRALDH1A1CYP1A2ALOX15 | |
| SCHEMBL4966159 | 0.76 | BRPF1 (0.40) | SMN1; SMN2P2RX3ALDH1A1GAACYP1A2 | |
| SCHEMBL4965624 | 0.75 | CSNK2A1 (0.33) | CSNK2A1P2RX3CYP1A2HTR2AHTR2C | |
| SCHEMBL14468495 | 0.74 | CSNK2A1 (0.41) | CSNK2A1SMN1; SMN2ALDH1A1CYP1A2HTR2A | |
| SCHEMBL4969623 | 0.72 | HTR2A (0.49) | ALDH1A1GAAHTR2AHTR2CMEN1 |
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 |