Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694900 | 1.00 | GAA (0.48) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7693891 | 1.00 | GAA (0.48) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7691972 | 0.87 | GAA (0.46) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7696271 | 0.82 | HTR2A (0.56) | GAAHRH3KDM4ECYP1A2CYP3A4 | |
| SCHEMBL7695135 | 0.82 | GAA (0.47) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL5789012 | 0.82 | GAA (0.47) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7688299 | 0.82 | GAA (0.47) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7692426 | 0.82 | SIGMAR1 (0.45) | GAAOPRM1SIGMAR1HRH3KDM4E | |
| SCHEMBL7694658 | 0.78 | GAA (0.44) | GAAOPRM1SIGMAR1KDM4ETSHR | |
| SCHEMBL5789016 | 0.76 | GAA (0.48) | GAAKDM4ECYP1A2CYP3A4CYP2D6 |
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-2002012185-A1 | PROCESS FOR PREPARING 2,3-DIAMINOPROPANOLS AND SYNTHESIS OF OTHER COMPOUNDS USING 2,3-DIAMINOPROPANOLS | CHEMBIONEX CO., LTD. (KR) | 2002-02-14 | — | — | WO | disclosed |