Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.30 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22965608 | 0.91 | TSHR (0.42) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL17266923 | 0.83 | TSHR (0.39) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL14049458 | 0.79 | TSHR (0.53) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL14601507 | 0.74 | TSHR (0.43) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL17266919 | 0.74 | CHRM5 (0.31) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL30577671 | 0.73 | TSHR (0.42) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL13841443 | 0.73 | TSHR (0.42) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL17267089 | 0.72 | TSHR (0.31) | TSHR | |
| SCHEMBL17266986 | 0.72 | TSHR (0.31) | TSHR | |
| SCHEMBL20813372 | 0.72 | NPSR1 (0.37) | TSHRCHRM2CHRM1CHRM4CHRM3 |
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-2015175695-A1 | SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS | DEBRABANDER JEF (US) | 2015-11-19 | — | — | WO | disclosed |