Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 4/20 | 0.32 |
| ▸ | MMP9 | P14780 | 3/20 | 0.32 |
| ▸ | MMP7 | P09237 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14038029 | 1.00 | CHRM5 (0.39) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| SCHEMBL9980016 | 1.00 | CHRM5 (0.39) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| SCHEMBL330041 | 1.00 | — | — | |
| SCHEMBL28826 | 1.00 | — | — | |
| SCHEMBL330549 | 1.00 | CHRM5 (0.39) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| Iodide SCHEMBL11077837 | 0.97 | — | — | |
| SCHEMBL28278 | 0.96 | — | — | |
| SCHEMBL18571635 | 0.91 | MMP1 (0.37) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| SCHEMBL29224 | 0.89 | — | — | |
| SCHEMBL23952727 | 0.86 | ACHE (0.46) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-11571686-B2 | Removal of homogeneous catalysts from NMR/MRI agents hyperpolarized via sabre or PHIP | BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) | 2023-02-07 | — | — | US | disclosed |
| US-20210252493-A1 | REMOVAL OF HOMOGENEOUS CATALYSTS FROM NMR/MRI AGENTS HYPERPOLARIZED VIA SABRE OR PHIP | BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) | 2021-08-19 | — | — | US | disclosed |