Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23221272 | 0.93 | SHBG (0.45) | SHBGTAAR1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL14685623 | 0.91 | TSHR (0.48) | SHBGTAAR1CYP3A4SMN1; SMN2ESR1 | |
| SCHEMBL19026593 | 0.89 | SHBG (0.69) | SHBGCYP3A4SMN1; SMN2ESR1ESR2 | |
| SCHEMBL19033678 | 0.87 | TAAR1 (0.60) | SHBGTAAR1CYP3A4ESR1ESR2 | |
| SCHEMBL21862602 | 0.87 | SHBG (0.41) | SHBGTAAR1SMN1; SMN2ESR1ESR2 | |
| SCHEMBL14685562 | 0.85 | CYP2D6 (0.40) | SHBGTAAR1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL22631906 | 0.85 | SHBG (0.39) | SHBGTAAR1CYP3A4SMN1; SMN2ESR1 | |
| SCHEMBL19285946 | 0.83 | SHBG (0.34) | SHBGTAAR1SLC6A2HTR2ASLC6A4 | |
| SCHEMBL22448856 | 0.83 | SHBG (0.38) | SHBGTAAR1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL8352080 | 0.83 | SHBG (0.38) | SHBGTAAR1CYP3A4SMN1; SMN2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4205767-A1 | DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR | Shanghai Senhui Medicine Co., Ltd. (CN) | 2023-07-05 | — | — | EP | disclosed |
| EP-2052011-B1 | TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT | STARPHARMA PTY LTD (AU) | 2020-11-04 | — | — | EP | disclosed |
| WO-2013018817-A1 | NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND | CANON KABUSHIKI KAISHA (JP) | 2013-02-07 | — | — | WO | disclosed |
| WO-2003068234-A1 | NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |
| WO-2003068232-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |