Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27868723 | 0.83 | APP (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL17486766 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL3875292 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL530400 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL24210462 | 0.81 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL16955070 | 0.80 | TRPV4 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL30846954 | 0.80 | CES2 (0.41) | SLC6A2SLC6A3TSHRLMNAPTGS2 | |
| SCHEMBL3518451 | 0.80 | CES2 (0.41) | SLC6A2SLC6A3TSHRLMNAPTGS2 | |
| SCHEMBL4458063 | 0.80 | AHR (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL13311775 | 0.79 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101801972-A | Pyrazolo [1,5-A]pyrimidines as inhibitors of stearoyl-coA desaturase | INOVACIA AB | 2010-08-11 | — | — | CN | disclosed |