Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 11/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22531721 | 1.00 | BACE1 (0.40) | BACE1MCHR1ACACBGRM5CHRM1 | |
| SCHEMBL2322584 | 0.89 | MCHR1 (0.45) | BACE1MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL3958689 | 0.81 | CCR1 (0.43) | GRM5 | |
| SCHEMBL1914210 | 0.81 | GRM5 (0.39) | GRM5 | |
| SCHEMBL29350657 | 0.79 | ADRA2A (0.37) | BACE1GRM5 | |
| SCHEMBL19453039 | 0.79 | HCAR2 (0.34) | GRM5 | |
| SCHEMBL1137069 | 0.79 | ADRA2A (0.37) | BACE1GRM5 | |
| SCHEMBL3212577 | 0.79 | ADRA2A (0.36) | MCHR1GRM5 | |
| SCHEMBL3348341 | 0.79 | GRM5 (0.51) | BACE1ACACBGRM5 | |
| SCHEMBL8973225 | 0.79 | ADRA2A (0.36) | BACE1MCHR1GRM5CHRM1HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114173772-A | Inhibitors of CD40-CD154 binding | 托尼克斯医药控股公司 | 2022-03-11 | — | — | CN | disclosed |
| EP-3952853-A1 | INHIBITORS OF CD40-CD154 BINDING | Tonix Pharmaceuticals Holding Corp. (US) | 2022-02-16 | — | — | EP | disclosed |