Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199022 | 0.86 | HSPB1 (0.45) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL22199038 | 0.85 | GPR3 (0.47) | GPR3SLC6A4SLC6A2SLC6A3SCN8A | |
| SCHEMBL328380 | 0.82 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL900955 | 0.82 | PDE2A (0.50) | GPR3ACHE | |
| SCHEMBL22199016 | 0.81 | ACHE (0.50) | HSPB1ARACHE | |
| SCHEMBL1688869 | 0.81 | PPARD (0.44) | GPR3SLC6A4SLC6A2SLC6A3SCN8A | |
| SCHEMBL22185629 | 0.81 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3 | |
| Methane SCHEMBL24038417 | 0.80 | PDE2A (0.49) | GPR3ACHE | |
| SCHEMBL16216739 | 0.80 | TSHR (0.45) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL22184962 | 0.80 | PDE2A (0.47) | SLC6A4SLC6A2SLC6A3HSPB1AR |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |