Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177504 | 0.89 | KDM1A (0.32) | — | |
| SCHEMBL20177824 | 0.87 | — | — | |
| SCHEMBL20177942 | 0.84 | DRD2 (0.32) | — | |
| SCHEMBL20177577 | 0.84 | GPBAR1 (0.36) | GPBAR1OPRL1HTR2AHTR2CHTR2B | |
| SCHEMBL20177538 | 0.75 | — | — | |
| SCHEMBL20177750 | 0.72 | — | — | |
| SCHEMBL20177882 | 0.70 | KDM1A (0.35) | — | |
| SCHEMBL20177570 | 0.70 | PDE4A (0.31) | — | |
| SCHEMBL20177736 | 0.69 | KDM1A (0.34) | — | |
| SCHEMBL20177903 | 0.69 | — | — |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |