Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 2/20 | 0.52 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.52 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.52 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.52 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.52 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.52 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.46 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22660699 | 0.84 | MGLL (0.47) | ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL22660599 | 0.81 | MEN1 (0.47) | SMN1; SMN2ALDH1A1KDM4EHSD17B10CYP1A2 | |
| SCHEMBL22660700 | 0.79 | ACKR3 (0.43) | SMN1; SMN2ALDH1A1BRD4KMT2A | |
| SCHEMBL22660701 | 0.75 | ACKR3 (0.44) | SMN1; SMN2ALDH1A1BRD4 | |
| SCHEMBL19701486 | 0.74 | SMYD2 (0.83) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22660625 | 0.73 | WNT1 (0.54) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22265437 | 0.73 | MMP13 (0.50) | SMN1; SMN2ALDH1A1KDM4EHSD17B10CYP1A2 | |
| SCHEMBL6110910 | 0.72 | PRKAA2 (0.47) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL17239633 | 0.71 | USP30 (0.52) | SMN1; SMN2ALDH1A1HSD17B10CYP2C9TSHR | |
| SCHEMBL19064401 | 0.69 | SMYD3 (0.65) | — |
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-2020228756-A1 | INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2020-11-19 | — | — | WO | disclosed |