Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14996644 | 0.92 | ESR2 (0.53) | SPHK1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL14996645 | 0.92 | ESR2 (0.53) | SPHK1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8341441 | 0.90 | NOS3 (0.43) | — | |
| SCHEMBL14996646 | 0.89 | SPHK1 (0.40) | SPHK1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL14996691 | 0.89 | SPHK1 (0.40) | SPHK1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL22340259 | 0.87 | SLC18A3 (0.50) | — | |
| SCHEMBL5209430 | 0.78 | MAPT (0.44) | CYP3A4CYP2C9 | |
| SCHEMBL4321926 | 0.75 | SPHK1 (0.50) | SPHK1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL24240436 | 0.73 | MEN1 (0.54) | — | |
| SCHEMBL2884020 | 0.72 | ESR2 (0.57) | ESR2ESR1CYP3A4CYP2C9POLB |
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-2021248231-A1 | COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS | RELIVE THERAPEUTICS INC. (CA) | 2021-12-16 | — | — | WO | disclosed |