Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.40 |
| ▸ | PREP | P48147 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL8790582 | 1.00 | CYP2C19 (0.41) | CYP2C19SMN1; SMN2DPP4KCNH2DPP7 | |
| SCHEMBL7359194 | 0.84 | SMN1; SMN2 (0.39) | CYP2C19SMN1; SMN2TSHRALDH1A1MEN1 | |
| SCHEMBL7363294 | 0.82 | SMN1; SMN2 (0.48) | CYP2C19SMN1; SMN2DPP4KCNH2DPP7 | |
| SCHEMBL7363296 | 0.82 | SMN1; SMN2 (0.48) | CYP2C19SMN1; SMN2DPP4KCNH2DPP7 | |
| SCHEMBL8790914 | 0.80 | BRD4 (0.34) | SMN1; SMN2DPP4DPP7PREP | |
| SCHEMBL8791441 | 0.77 | SLC15A1 (0.40) | CYP2C19SMN1; SMN2DPP4KCNH2DPP7 | |
| SCHEMBL10853040 | 0.73 | ALDH1A1 (0.49) | CYP2C19SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL26327917 | 0.73 | HRH3 (0.48) | CYP2C19SMN1; SMN2KCNH2ALDH1A1MAPK1 | |
| SCHEMBL22193270 | 0.72 | LTA4H (0.48) | CYP2C19SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8790576 | 0.72 | SMN1; SMN2 (0.46) | CYP2C19SMN1; SMN2KCNH2ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800516-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | NIPPON STEEL CORPORATION (JP) | 1997-10-15 | — | — | EP | disclosed |