Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPID | Q08752 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1370661 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL30520135 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL9753730 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL11302245 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL22144315 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL1415615 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL11147083 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL1733288 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL9834260 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TRPA1LMNAHSD17B10GAA | |
| SCHEMBL1731339 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TRPA1LMNAHSD17B10GAA |
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-2012025861-A1 | PROCESS FOR THE PREPARATION OF ( S ) - 3 - CYANO - 5 - METHYLHEXANOIC ACID DERIVATIVES ADN OF PREGABALIN | PFIZER MANUFACTURING IRELAND (IE) | 2012-03-01 | — | — | WO | disclosed |