Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PPID | Q08752 | 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 | |
|---|---|---|---|---|
| SCHEMBL5150173 | 0.84 | SIGMAR1 (0.46) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5150181 | 0.84 | SIGMAR1 (0.46) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8271670 | 0.84 | NLRP3 (0.46) | NLRP3GAAMGAMSIMGAM2 | |
| SCHEMBL8248999 | 0.82 | LMNA (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8243277 | 0.82 | GAA (0.47) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL15483737 | 0.81 | NLRP3 (0.48) | NLRP3GAAMGAMSIMGAM2 | |
| SCHEMBL14077617 | 0.80 | TSHR (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL5902546 | 0.80 | ALDH1A1 (0.56) | CYP4F2CYP4A11GAAMGAMSI | |
| SCHEMBL8191757 | 0.77 | GAA (0.42) | NLRP3GAAMGAMSIMGAM2 | |
| SCHEMBL3370394 | 0.77 | GAA (0.42) | NLRP3GAAMGAMSIMGAM2 |
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-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| EP-1771454-B1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2011-06-15 | — | — | EP | disclosed |