Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084548 | 0.84 | GABRA1 (0.47) | P2RX7 | |
| SCHEMBL23075001 | 0.81 | SLC6A2 (0.41) | SLC6A2TAAR1SLC6A4SLC6A3MAOA | |
| SCHEMBL9519949 | 0.79 | PTAFR (0.42) | SLC6A2SLC6A4SLC6A3MAOAP2RX7 | |
| SCHEMBL9519911 | 0.79 | PTAFR (0.42) | SLC6A2SLC6A4SLC6A3MAOAP2RX7 | |
| SCHEMBL9519919 | 0.79 | PTAFR (0.42) | SLC6A2SLC6A4SLC6A3MAOAP2RX7 | |
| SCHEMBL24741410 | 0.78 | P2RX7 (0.37) | P2RX7 | |
| SCHEMBL27359227 | 0.78 | SLC6A2 (0.38) | SLC6A2TAAR1SLC6A4SLC6A3MAOA | |
| Water SCHEMBL9522425 | 0.78 | PTAFR (0.41) | SLC6A2SLC6A4SLC6A3MAOAP2RX7 | |
| SCHEMBL5802969 | 0.75 | — | — | |
| SCHEMBL261850 | 0.75 | — | — |
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-2019183364-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |