Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL415949 | 0.85 | CHRM2 (0.67) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| Hydrochloric Acid SCHEMBL7695180 | 0.82 | CHRM2 (0.64) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| Hydrochloric Acid SCHEMBL9479829 | 0.80 | CHRM2 (0.61) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL11094422 | 0.80 | CHRM2 (0.75) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL1800659 | 0.76 | SMN1; SMN2 (0.62) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL14420038 | 0.76 | CHRM2 (0.57) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL606264 | 0.76 | ALDH1A1 (0.62) | CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6342311 | 0.76 | CHRM2 (0.57) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL11672256 | 0.76 | CHRM2 (0.83) | CHRM2ALDH1A1SMN1; SMN2KDM4ETHRB | |
| SCHEMBL11953353 | 0.76 | CHRM2 (0.57) | CHRM2ALDH1A1SMN1; SMN2GAAMEN1 |
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-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |