Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | FAP | Q12884 | 2/20 | 0.31 |
| ▸ | PITRM1 | Q5JRX3 | 2/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL8277388 | 0.98 | ALDH1A1 (0.34) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL8277249 | 0.80 | TSHR (0.42) | TSHRNFKB1CYP2C19DPP4FAP | |
| SCHEMBL8277960 | 0.78 | CYP2C19 (0.41) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL13201636 | 0.76 | TSHR (0.31) | TSHRNFKB1CYP2C19 | |
| SCHEMBL13640446 | 0.75 | TSHR (0.47) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL13201634 | 0.75 | DPP4 (0.31) | TSHRNFKB1CYP2C19DPP4FAP | |
| SCHEMBL13463608 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL11477925 | 0.72 | ALDH1A1 (0.41) | CYP2C19ALDH1A1 | |
| SCHEMBL14899074 | 0.70 | CYP2C19 (0.34) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL22978907 | 0.70 | TSHR (0.34) | TSHRNFKB1CYP2C19DPP4FAP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |