Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL5515153 | 0.83 | NPSR1 (0.40) | CYP1A2CYP2C9NPSR1CYP2D6 | |
| SCHEMBL5515078 | 0.79 | NPSR1 (0.47) | USP2CYP1A2CYP2C9NPSR1 | |
| SCHEMBL1837872 | 0.78 | NPSR1 (0.45) | CYP1A2CYP2C9NPSR1 | |
| SCHEMBL17169771 | 0.78 | CYP1A2 (0.33) | SCN1ASCN2ASCN3AOPRM1SLC22A1 | |
| SCHEMBL13934079 | 0.76 | CYP1A2 (0.32) | SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL15416111 | 0.75 | USP2 (0.45) | USP2CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL18609155 | 0.75 | OPRL1 (0.40) | OPRM1OPRK1CYP2D6 | |
| SCHEMBL23727874 | 0.74 | CYP1A2 (0.38) | OPRM1CYP1A2NPSR1 | |
| SCHEMBL15360992 | 0.74 | POLB (0.36) | USP2NPSR1 | |
| SCHEMBL13715121 | 0.74 | PKM (0.40) | CYP2C9NPSR1MMP1MMP13 |
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-2020099885-A1 | HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS | THE UNIVERSITY OF SHEFFIELD (GB) | 2020-05-22 | — | — | WO | disclosed |