Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7290198 | 0.81 | CYP1A2 (0.43) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL3678676 | 0.79 | — | — | |
| SCHEMBL7298809 | 0.76 | CYP1A2 (0.39) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL1643333 | 0.73 | CYP1A2 (0.46) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL29131154 | 0.73 | CYP2C19 (0.42) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL28405077 | 0.73 | CYP2C19 (0.42) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL6379074 | 0.72 | CYP1A2 (0.44) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL7297015 | 0.72 | CYP1A2 (0.49) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL3811332 | 0.72 | CYP1A2 (0.46) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL7291342 | 0.71 | TDP1 (0.40) | CYP1A2ALDH1A1USP2LMNATSHR |
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-0446570-B1 | Gabapentin and its derivatives for treating neurodegenerative diseases | WARNER LAMBERT CO (US) | 1995-08-02 | — | — | EP | claimed |