Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | HTR2B | P41595 | 3/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11285930 | 0.85 | SIGMAR1 (0.42) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL12836259 | 0.79 | SIGMAR1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL24282934 | 0.76 | HTR2C (0.39) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL25744884 | 0.69 | ALDH1A1 (0.37) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL18828548 | 0.69 | ALDH1A1 (0.52) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL13437222 | 0.69 | TSHR (0.49) | SIGMAR1HTR2AHTR2CHTR2BDRD4 | |
| SCHEMBL31087508 | 0.66 | ALDH1A1 (0.37) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL25798284 | 0.66 | ALDH1A1 (0.37) | SIGMAR1HTR2AHTR2CHTR2BTMEM97 | |
| SCHEMBL11099029 | 0.66 | GAA (0.62) | SIGMAR1HTR2AHTR2CHTR2BDRD4 | |
| SCHEMBL7680939 | 0.66 | OPRM1 (0.46) | SIGMAR1DRD4DRD1DRD3MAOA |
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-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |