Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 | 0.90 | HTR2A (0.37) | HTR2APRCPADRA2BADRA2CHTR2C | |
| SCHEMBL21397653 | 0.84 | HTR2A (0.35) | HTR2AADRA2BADRA2CHTR2CHRH1 | |
| SCHEMBL21397676 | 0.80 | KDM1A (0.31) | HTR2AADRA2BADRA2CKDM1AMAOA | |
| SCHEMBL21397647 | 0.80 | DRD2 (0.36) | HTR2AADRA2BADRA2CDRD2ADRA1A | |
| SCHEMBL21397401 | 0.80 | KDM1A (0.31) | HTR2AADRA2BADRA2CKDM1AMAOA | |
| SCHEMBL21397254 | 0.79 | DRD2 (0.32) | DRD2DRD3 | |
| SCHEMBL21397678 | 0.77 | HTR2A (0.39) | HTR2AADRA2BADRA2CHTR2CHRH1 | |
| SCHEMBL21397520 | 0.76 | DRD2 (0.38) | DRD2OPRK1 | |
| SCHEMBL22393599 | 0.71 | HTR2A (0.42) | HTR2APRCPKDM1AOPRM1OPRK1 | |
| SCHEMBL22393733 | 0.69 | HTR2A (0.38) | HTR2APRCPADRA2BADRA2CCHRM1 |
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 |