Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1269530 | 0.78 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL6630644 | 0.75 | KDM4E (0.38) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL4485789 | 0.74 | PRKAB2 (0.47) | KDM4EHSD17B10PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL4485781 | 0.74 | PRKAB2 (0.47) | KDM4EHSD17B10PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL8349892 | 0.72 | POLB (0.53) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL7010502 | 0.72 | DRD2 (0.47) | — | |
| SCHEMBL19354579 | 0.72 | — | — | |
| SCHEMBL1522730 | 0.72 | — | — | |
| SCHEMBL8192120 | 0.69 | PRKAB2 (0.46) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| Acetone SCHEMBL22660844 | 0.69 | DRD2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433205-A | Polycyclic derivative receptor agonist, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-12-06 | — | — | CN | disclosed |