Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22515446 | 0.87 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL21397317 | 0.81 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22515384 | 0.79 | KDM1A (0.34) | SLC6A4SLC6A3HTR2AHTR2CHTR2B | |
| SCHEMBL21397337 | 0.76 | HTR2A (0.37) | ADRA2AADRA2BADRA2CADRA1BSLC6A2 | |
| SCHEMBL22515237 | 0.76 | KDM1A (0.32) | ADRA2AADRA2BADRA2CKDM1A | |
| SCHEMBL21397653 | 0.70 | HTR2A (0.35) | ADRA2AADRA2BADRA2CADRA1BSLC6A2 | |
| SCHEMBL24091164 | 0.70 | KMT2A (0.40) | AADATKMT2AKIF11 | |
| SCHEMBL21397670 | 0.68 | HTR2A (0.33) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL21940878 | 0.67 | SLC6A3 (0.38) | ADRA2ASLC6A2SLC6A4SLC6A3HTR2B | |
| SCHEMBL21940662 | 0.67 | SLC6A3 (0.38) | ADRA2ASLC6A2SLC6A4SLC6A3HTR2B |
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 |