Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177943 | 0.86 | HTR3A (0.36) | ESR2TSHRGPBAR1 | |
| SCHEMBL16785342 | 0.84 | TSHR (0.40) | TSHR | |
| SCHEMBL19559484 | 0.84 | TSHR (0.40) | TSHR | |
| SCHEMBL20177882 | 0.80 | KDM1A (0.35) | — | |
| SCHEMBL20177855 | 0.78 | — | — | |
| SCHEMBL20177569 | 0.76 | ESR2 (0.37) | ESRRGESR2TSHRBRD4 | |
| SCHEMBL20177534 | 0.76 | RECQL (0.31) | GPBAR1 | |
| SCHEMBL20177801 | 0.75 | ALDH1A1 (0.34) | ESR2 | |
| SCHEMBL20177903 | 0.70 | — | — | |
| SCHEMBL20041973 | 0.70 | TSHR (0.39) | TSHR |
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 |