Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 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 | |
|---|---|---|---|---|
| SCHEMBL21397653 | 0.93 | HTR2A (0.35) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397670 | 0.90 | HTR2A (0.33) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397647 | 0.89 | DRD2 (0.36) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397676 | 0.89 | KDM1A (0.31) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397401 | 0.89 | KDM1A (0.31) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397678 | 0.86 | HTR2A (0.39) | HTR2AKDM1AADRA2AADRA2BADRA2C | |
| SCHEMBL12086608 | 0.77 | SLC10A2 (0.37) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL21397675 | 0.77 | HTR2A (0.40) | HTR2AADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL21397500 | 0.76 | ADRA2A (0.35) | HTR2AKDM1AMAOAMAOBADRA2A | |
| SCHEMBL22515436 | 0.76 | ALOX12 (0.38) | ADRA2AADRA2BADRA2CADRA1BPRCP |
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 |