Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 5/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30834043 | 0.82 | GRIN2D (0.38) | ADRA1DADRA1AADRA2BENPP2GRM4 | |
| SCHEMBL17064633 | 0.82 | GRIN2D (0.38) | ADRA1DADRA1AADRA2BENPP2GRM4 | |
| SCHEMBL23429078 | 0.79 | ACHE (0.40) | CNR2 | |
| SCHEMBL1507787 | 0.77 | TSHR (0.48) | ENPP2GRM4GSK3BMGLLTNF | |
| SCHEMBL30961611 | 0.77 | TSHR (0.48) | ENPP2GRM4GSK3BMGLLTNF | |
| SCHEMBL13714051 | 0.76 | GAA (0.49) | S1PR1ENPP2GRM4GSK3BTNF | |
| SCHEMBL17064353 | 0.74 | CA1 (0.45) | ADRA1DADRA1AADRA2BENPP2GRM4 | |
| SCHEMBL532567 | 0.73 | EGLN2 (0.48) | — | |
| SCHEMBL16258183 | 0.73 | TSHR (0.44) | S1PR1ADRA2B | |
| SCHEMBL4095529 | 0.72 | ENPP2 (0.46) | S1PR1ADRA1DADRA1AADRA2BENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828173-A1 | SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS | BioCryst Pharmaceuticals, Inc. (US) | 2021-06-02 | — | — | EP | disclosed |