Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.84 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.84 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP4 | P49662 | 1/20 | 0.42 |
| ▸ | CASP5 | P51878 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3439903 | 0.97 | CHRM5 (0.90) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL1827882 | 0.94 | CHRM5 (0.94) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL14473007 | 0.94 | — | — | |
| SCHEMBL30340995 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL20643257 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL19575409 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL1515104 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL18616997 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| SCHEMBL3439882 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 | |
| Leptacline SCHEMBL509769 | 0.92 | CHRM5 (1.00) | CHRM5ADRA2CACHESMN1; SMN2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233852-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097072-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |