Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL12114208 | 0.84 | S1PR1 (0.37) | PDE3BPDE3AS1PR1FFAR4IDO1 | |
| SCHEMBL12834802 | 0.82 | FFAR4 (0.40) | HSPA5FFAR4IDO1TRPA1DAO | |
| SCHEMBL23865007 | 0.80 | ESRRG (0.41) | PDE3BPDE3AHSPA5AOC3DAO | |
| SCHEMBL24250763 | 0.79 | S1PR1 (0.38) | PDE3BPDE3AS1PR1TRPA1CYP1A2 | |
| SCHEMBL25530531 | 0.78 | PDE3B (0.45) | PDE3BPDE3AIDO1DAOCYP1A2 | |
| SCHEMBL12107918 | 0.75 | CNR1 (0.41) | S1PR1IDO1DAOPDK2 | |
| SCHEMBL3245823 | 0.74 | RXRA (0.44) | FFAR4IDO1PDE2ATRPA1DAO | |
| SCHEMBL27408304 | 0.73 | TP53 (0.42) | PDK2CYP1A2CYP2A6SLC6A4SIGMAR1 | |
| SCHEMBL23463560 | 0.73 | HSPA5 (0.44) | HSPA5IDO1PDK2CYP1A2CYP2A6 | |
| SCHEMBL17891892 | 0.73 | PDE3B (0.44) | PDE3BPDE3AS1PR1 |
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-3272736-A1 | IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS | NOVARTIS AG (CH) | 2018-01-24 | — | — | EP | disclosed |