Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL21397676 | 1.00 | KDM1A (0.31) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397337 | 0.89 | HTR2A (0.37) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397653 | 0.83 | HTR2A (0.35) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397670 | 0.80 | HTR2A (0.33) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397647 | 0.78 | DRD2 (0.36) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397678 | 0.76 | HTR2A (0.39) | KDM1AHTR2AADRA2AADRA2BADRA2C | |
| SCHEMBL12086608 | 0.68 | SLC10A2 (0.37) | KDM1AMAOAMAOBHTR2AADRA2A | |
| SCHEMBL21397675 | 0.68 | HTR2A (0.40) | HTR2AADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL22515436 | 0.67 | ALOX12 (0.38) | ADRA2AADRA2BADRA2CADRA1B | |
| SCHEMBL21397500 | 0.67 | ADRA2A (0.35) | KDM1AMAOAMAOBHTR2AADRA2A |
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 |