Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 14/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.40 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8608079 | 0.78 | GAA (0.47) | HTR2AHTR2CCHRM2BCHEACHE | |
| SCHEMBL26087454 | 0.77 | SMPD1 (0.52) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL26086370 | 0.75 | CHRM2 (0.50) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL24593192 | 0.70 | CHRM2 (0.33) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL30395604 | 0.70 | CYP1A2 (0.47) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL26086346 | 0.70 | CYP1A2 (0.47) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL13488450 | 0.65 | IFNAR1 (0.33) | HTR2A | |
| SCHEMBL8607958 | 0.65 | CHRM2 (0.62) | HTR2AHTR2CCHRM2BCHEACHE | |
| SCHEMBL26411354 | 0.64 | CA12 (0.34) | TSHR | |
| SCHEMBL14217532 | 0.64 | PKM (0.44) | HTR2ACHRM2BCHEMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4169902-A1 | SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES | Consejo Superior de Investigaciones Científicas (CSIC) (ES) | 2023-04-26 | — | — | EP | disclosed |