Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162993 | 0.92 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL9702126 | 0.90 | SMN1; SMN2 (0.57) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL6978954 | 0.88 | MEN1 (0.61) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL4885955 | 0.87 | KMT2A (0.49) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL3243742 | 0.83 | SMN1; SMN2 (0.62) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL9703118 | 0.82 | SMN1; SMN2 (0.56) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL13228078 | 0.81 | KMT2A (0.54) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL9703145 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL9703901 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL5966969 | 0.81 | SMN1; SMN2 (0.61) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 |
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-2978750-A2 | \"SYNTHESIS OF DABIGATRAN\ | USV Limited (IN) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014167577-A2 | \"SYNTHESIS OF DABIGATRAN\ | USV LIMITED (IN) | 2014-10-16 | — | — | WO | disclosed |