Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399089 | 0.91 | HTR2A (0.52) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9398851 | 0.91 | HTR2A (0.52) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9398566 | 0.88 | HTR2A (0.52) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9399279 | 0.87 | S1PR1 (0.51) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9399529 | 0.86 | HTR2A (0.48) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL18364561 | 0.84 | S1PR1 (0.51) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9399139 | 0.84 | TYR (0.49) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9663375 | 0.84 | RARB (0.51) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL10831863 | 0.83 | THRA (0.51) | HTR2ARARBRARARARGS1PR1 | |
| SCHEMBL9664990 | 0.82 | RARB (0.60) | HTR2ARARBRARARARGESR1 |
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-2019136314-A1 | COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2019-07-11 | — | — | WO | disclosed |