Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25224507 | 0.69 | GRK2 (0.65) | ALDH1A1MEN1KMT2ALMNASLC6A2 | |
| SCHEMBL322907 | 0.68 | TAAR1 (0.60) | ESR1CYP19A1ESR2L3MBTL1DRD2 | |
| Hydrochloric Acid SCHEMBL25271410 | 0.68 | GRK2 (0.67) | ALDH1A1MEN1KMT2ALMNASLC6A2 | |
| Hydrochloric Acid SCHEMBL8865807 | 0.68 | PLA2G7 (0.38) | ALDH1A1HTR1AHTR2ADRD2HRH1 | |
| Hydrochloric Acid SCHEMBL321866 | 0.67 | TAAR1 (0.58) | ESR1CYP19A1ESR2ALDH1A1MEN1 | |
| SCHEMBL9633819 | 0.64 | LTA4H (0.68) | ESR1CYP19A1ESR2L3MBTL1LTA4H | |
| SCHEMBL3163776 | 0.63 | MAP2K1 (0.53) | SLC6A2SLC6A4SLC6A3LTA4HTDP1 | |
| Hydrochloric Acid SCHEMBL1768943 | 0.62 | MAP2K1 (0.52) | SLC6A2SLC6A4SLC6A3LTA4HGRK2 | |
| SCHEMBL15645223 | 0.62 | LTA4H (0.65) | LTA4H | |
| SCHEMBL15645221 | 0.62 | LTA4H (0.65) | LTA4H |
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-2023102477-A1 | PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-06-08 | — | — | WO | disclosed |