Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17318776 | 0.89 | CHRM2 (0.61) | CHRM2CHRM3ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL17318786 | 0.88 | CHRM2 (0.60) | CHRM2CHRM3ALDH1A1KMT2AKDM4E | |
| SCHEMBL19096873 | 0.87 | HPGD (0.50) | CHRM2CHRM3ALDH1A1HPGDKMT2A | |
| SCHEMBL20058423 | 0.87 | ALDH1A1 (0.50) | CHRM2CHRM3ALDH1A1HPGDKMT2A | |
| SCHEMBL17318795 | 0.87 | CHRM2 (0.46) | CHRM2CHRM3ALDH1A1HPGDKMT2A | |
| SCHEMBL17318994 | 0.87 | SIGMAR1 (0.57) | KMT2AOPRM1SIGMAR1KCNH2MEN1 | |
| Hydrochloric Acid SCHEMBL19096857 | 0.86 | CHRM2 (0.45) | CHRM2CHRM3ALDH1A1HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL17318878 | 0.86 | SIGMAR1 (0.56) | KMT2AOPRM1SIGMAR1KCNH2MEN1 | |
| SCHEMBL17328294 | 0.85 | SIGMAR1 (0.54) | CHRM2CHRM3KMT2AOPRM1SIGMAR1 | |
| SCHEMBL17328271 | 0.85 | CHRM2 (0.45) | CHRM2CHRM3ALDH1A1HPGDKMT2A |
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-2019180188-A1 | AMINOPROPOXYPHENYL AND BENZYL 1-OXA-4,9-DIAZASPIROUNDECANE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-09-26 | — | — | WO | disclosed |