Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | HTR1E | P28566 | 3/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103544 | 0.98 | SLC6A2 (0.62) | CHRM3SLC6A2SLC6A3SLC6A4HTR1E | |
| SCHEMBL12531975 | 0.85 | HTR1E (0.63) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL193456 | 0.85 | HTR1E (0.63) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL67219 | 0.85 | HTR1E (0.63) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL4678502 | 0.84 | SLC6A3 (0.60) | CHRM3SLC6A2SLC6A3SLC6A4HTR1E | |
| Hydrochloric Acid SCHEMBL11526873 | 0.84 | HTR1E (0.61) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL9780781 | 0.84 | HTR1E (0.61) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL28622389 | 0.83 | HTR1E (0.65) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL69127 | 0.83 | HTR1E (0.65) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 | |
| SCHEMBL28373611 | 0.83 | HTR1E (0.65) | CHRM3SLC6A2SLC6A3HTR1ES1PR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021125695-A1 | CURABLE COMPOSITION FOR INKJET PRINTING, AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE COMPRISING SAME | 주식회사 두산 | 2021-06-24 | — | — | WO | disclosed |
| US-5036107-A | Treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1991-07-30 | — | — | US | disclosed |