Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CPA1 | P15085 | 2/20 | 0.30 |
| ▸ | CPB1 | P15086 | 1/20 | 0.30 |
| ▸ | CPA3 | P15088 | 1/20 | 0.30 |
| ▸ | CPB2 | Q96IY4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27654746 | 0.84 | GAA (0.33) | MEN1GAAKMT2ACTSK | |
| SCHEMBL27921297 | 0.79 | MEN1 (0.33) | MEN1GAAKMT2ACTSK | |
| SCHEMBL27710328 | 0.79 | MEN1 (0.33) | MEN1GAAKMT2ACTSK | |
| SCHEMBL27845696 | 0.79 | MEN1 (0.33) | MEN1GAAKMT2ACTSK | |
| SCHEMBL29846523 | 0.76 | CTSK (0.33) | CTSK | |
| SCHEMBL27640595 | 0.73 | NOS1 (0.33) | CTSK | |
| SCHEMBL25698306 | 0.70 | NPC1 (0.36) | KMT2ACTSK | |
| SCHEMBL27274232 | 0.68 | ACLY (0.32) | — | |
| SCHEMBL28086823 | 0.68 | KMT2A (0.39) | MEN1GAAKMT2AFOLH1 | |
| SCHEMBL24387451 | 0.68 | CACNA2D1 (0.38) | CTSK |
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-101611026-A | Preparation method of (3R,4R) -N- (4-chlorphenyl) -1- (2, 2-difluoroethyl) -N' - [ 2-fluoro-4- (2-oxo-1 (2H) -pyridyl) phenyl ] -3, 4-pyrrolidine dicarboxamide | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | CN | disclosed |