Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 10/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 10/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.54 |
| ▸ | GAA | P10253 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18688691 | 0.84 | HDAC6 (0.53) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL18688204 | 0.84 | HDAC6 (0.53) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL18688725 | 0.83 | HDAC6 (0.54) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL18688681 | 0.81 | TSHR (0.57) | GAAALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL20148244 | 0.80 | ALDH1A1 (0.70) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL18688683 | 0.80 | DRD2 (0.58) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL14288519 | 0.79 | CHRM2 (0.63) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL1105634 | 0.77 | MEN1 (0.65) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL10995953 | 0.76 | ALDH1A1 (0.60) | CHRM2CHRM4CHRM1CHRM3GAA | |
| SCHEMBL9480671 | 0.76 | ALDH1A1 (0.60) | CHRM2CHRM4CHRM1CHRM3GAA |
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-2017053360-A1 | BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-03-30 | — | — | WO | disclosed |