Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950205 | 0.80 | EPHX2 (0.39) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| SCHEMBL6043115 | 0.79 | CHRM2 (0.44) | EPHX2EPHX1F10CYP1A2TDP1 | |
| Hydrochloric Acid SCHEMBL6044689 | 0.78 | CHRM2 (0.43) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| SCHEMBL315542 | 0.75 | NCF1 (0.52) | EPHX2EPHX1CYP1A2TDP1 | |
| SCHEMBL3949719 | 0.73 | EPHX2 (0.38) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| SCHEMBL1501881 | 0.73 | AKR1C3 (0.43) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| Hydrochloric Acid SCHEMBL6044484 | 0.73 | NCF1 (0.50) | EPHX2EPHX1F10CYP1A2TDP1 | |
| SCHEMBL3955878 | 0.73 | EPHX2 (0.42) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| SCHEMBL12641 | 0.73 | GNAI3 (0.45) | EPHX2EPHX1CYP1A2TDP1GNAI3 | |
| SCHEMBL3123567 | 0.73 | TPSAB1 (0.40) | EPHX2EPHX1CYP1A2TDP1GNAI3 |
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-2018024907-A1 | PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER | CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) | 2018-02-08 | — | — | WO | disclosed |