Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL21397500 | 0.81 | ADRA2A (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22515384 | 0.75 | KDM1A (0.34) | SLC6A4SLC6A3 | |
| SCHEMBL21397337 | 0.72 | HTR2A (0.37) | SLC6A2SLC6A4 | |
| SCHEMBL22515237 | 0.72 | KDM1A (0.32) | — | |
| SCHEMBL21397498 | 0.71 | — | — | |
| SCHEMBL21383776 | 0.69 | KCNH2 (0.40) | DRD2KCNH2 | |
| SCHEMBL30529471 | 0.69 | KCNH2 (0.40) | DRD2KCNH2 | |
| SCHEMBL22515446 | 0.68 | ADRA2A (0.36) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL23024137 | 0.68 | KCNH2 (0.39) | DRD2KCNH2 | |
| SCHEMBL21397653 | 0.67 | HTR2A (0.35) | SLC6A2SLC6A4 |
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 |