Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21397337 | 0.77 | HTR2A (0.37) | HTR2AHRH1SLC6A2CYP2D6SLC6A4 | |
| SCHEMBL12086608 | 0.74 | SLC10A2 (0.37) | HTR2ASLC6A2CYP2D6SLC6A4ADRA2A | |
| SCHEMBL21397653 | 0.74 | HTR2A (0.35) | HTR2AHRH1SLC6A2CYP2D6SLC6A4 | |
| SCHEMBL24388766 | 0.74 | PDPK1 (0.47) | HTR2AHRH1PDPK1SLC6A2CYP2D6 | |
| SCHEMBL2581679 | 0.74 | PDPK1 (0.47) | HTR2AHRH1PDPK1SLC6A2CYP2D6 | |
| SCHEMBL22515436 | 0.73 | ALOX12 (0.38) | ADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL25522982 | 0.73 | PDPK1 (0.42) | HTR2AHRH1PDPK1SLC6A2CYP2D6 | |
| SCHEMBL22515488 | 0.72 | MEN1 (0.38) | CYP2D6ADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL16448778 | 0.71 | SLC6A2 (0.43) | HTR2AHRH1PDPK1SLC6A2CYP2D6 | |
| SCHEMBL17559137 | 0.70 | PDPK1 (0.40) | HTR2AHRH1PDPK1SLC6A2CYP2D6 |
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-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |