Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL27637713 | 1.00 | ALDH1A1 (0.34) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL27637712 | 1.00 | ALDH1A1 (0.34) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL20185578 | 0.84 | NLRP3 (0.32) | ALDH1A1ALOX15LMNAHSD17B10 | |
| SCHEMBL27618527 | 0.79 | GAA (0.38) | ALDH1A1ALOX15HSD17B10GAA | |
| SCHEMBL4693468 | 0.76 | ALDH1A1 (0.36) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL15802621 | 0.74 | ALDH1A1 (0.35) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL4689856 | 0.74 | ALDH1A1 (0.35) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL4690823 | 0.72 | CHRM1 (0.34) | ALDH1A1ALOX15LMNAHSD17B10GAA | |
| SCHEMBL22615931 | 0.70 | USP2 (0.43) | — | |
| SCHEMBL28571854 | 0.69 | PRKCA (0.32) | ALDH1A1ALOX15LMNAHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100367946-C | Gabapentin analogs for the treatment of fibromyalgia and other disorders | WARNER LAMBERT CO (US) | 2008-02-13 | — | — | CN | disclosed |
| CN-1720038-A | Gabapentin analogs for the treatment of fibromyalgia and other disorders | WARNER LAMBERT CO (US) | 2006-01-11 | — | — | CN | disclosed |