Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.44 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | FADS1 | O60427 | 5/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5546132 | 1.00 | CACNA2D1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1CPTGDR2 | |
| SCHEMBL3160859 | 1.00 | CACNA2D1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1CPTGDR2 | |
| SCHEMBL9445699 | 0.91 | IDH1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CPTGDR2 | |
| SCHEMBL4802224 | 0.82 | IDH1 (0.39) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL13040583 | 0.79 | TDP1 (0.40) | PTGDR2NPSR1TSHR | |
| SCHEMBL4194718 | 0.79 | TDP1 (0.40) | PTGDR2NPSR1TSHR | |
| SCHEMBL4194714 | 0.79 | TDP1 (0.40) | PTGDR2NPSR1TSHR | |
| SCHEMBL9263474 | 0.78 | FADS1 (0.39) | PTGDR2FADS1MAOBHSD17B2 | |
| SCHEMBL24065093 | 0.78 | TSHR (0.41) | PTGDR2MAPTMEN1KMT2AHTT | |
| SCHEMBL4189485 | 0.78 | TSHR (0.41) | PTGDR2MAPTMEN1KMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1406873-B1 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-09-26 | — | — | EP | disclosed |