Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL20176718 | 0.88 | GCGR (0.36) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL17694364 | 0.88 | RARB (0.36) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL17694315 | 0.87 | RARB (0.40) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL20176722 | 0.87 | RARB (0.34) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL18217165 | 0.87 | — | — | |
| SCHEMBL17694324 | 0.86 | RARB (0.39) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL17694316 | 0.86 | RARB (0.42) | RARBGPR3ESR1ESR2SPHK2 | |
| SCHEMBL17694346 | 0.86 | RARB (0.39) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL17694321 | 0.85 | RARB (0.39) | RARBGCGRGPR3ESR1ESR2 | |
| SCHEMBL20176726 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180142153-A1 | THIADIAZOLOQUINOXALINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |