Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22236878 | 0.86 | PTGS1 (0.37) | NOTUMIDO1PDE2ARECQLSLC6A2 | |
| SCHEMBL4547922 | 0.86 | NOTUM (0.44) | NOTUMIDO1PDE2ARECQLPDE3B | |
| SCHEMBL30133781 | 0.85 | PDE2A (0.42) | IDO1PDE2ADPP4SLC6A2SLC6A4 | |
| SCHEMBL16044673 | 0.85 | PDE2A (0.40) | IDO1PDE2ADPP4LMNA | |
| SCHEMBL24869065 | 0.82 | NOTUM (0.33) | NOTUMIDO1PDE2ARECQLDPP4 | |
| SCHEMBL24869047 | 0.82 | ALDH1A1 (0.39) | PDE2ARECQLDPP4SLC6A2TRPA1 | |
| SCHEMBL15077042 | 0.80 | TRPA1 (0.48) | SLC6A2TRPA1LMNACHRM1ADRA1A | |
| SCHEMBL17574081 | 0.79 | S1PR1 (0.32) | IDO1RECQLS1PR1NR3C2 | |
| SCHEMBL4554167 | 0.73 | SLC6A2 (0.38) | NOTUMIDO1PDE2ARECQLPDE3B | |
| SCHEMBL17280550 | 0.73 | PTGS1 (0.37) | RECQLSLC6A2SLC6A4CYP1A2CYP2A6 |
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-2021064571-A1 | N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2021-04-08 | — | — | WO | disclosed |