Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 7/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 7/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27637708 | 0.83 | POLB (0.37) | AKR1B1 | |
| SCHEMBL27637703 | 0.81 | AKR1B1 (0.34) | AKR1B1TP53MDM2CYP3A4CYP2D6 | |
| SCHEMBL27617099 | 0.67 | CYP1A2 (0.36) | OPRL1 | |
| SCHEMBL27637700 | 0.66 | FFAR4 (0.33) | SLC6A2 | |
| Bicarbonate SCHEMBL8044579 | 0.65 | TDP1 (0.40) | — | |
| SCHEMBL8927699 | 0.65 | PTGS1 (0.37) | CYP3A4 | |
| SCHEMBL5436601 | 0.64 | ALDH1A1 (0.48) | AKR1B1 | |
| SCHEMBL5436605 | 0.64 | ALDH1A1 (0.48) | AKR1B1 | |
| SCHEMBL5443231 | 0.64 | ALDH1A1 (0.48) | AKR1B1 | |
| SCHEMBL3837864 | 0.63 | POLB (0.43) | CYP2D6HSD11B1 |
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 |