Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 3/20 | 0.33 |
| ▸ | LAP3 | P28838 | 2/20 | 0.33 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5388073 | 0.79 | TSHR (0.50) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL5381361 | 0.79 | ANPEP (0.50) | CACNA2D1LMNACYP1A2SMN1; SMN2CACNB3 | |
| SCHEMBL5394737 | 0.79 | TSHR (0.50) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL5394762 | 0.77 | TSHR (0.47) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| Gabapentin SCHEMBL876152 | 0.69 | CACNA2D1 (0.61) | CACNA2D1LMNACYP1A2SMN1; SMN2CACNB3 | |
| SCHEMBL7429556 | 0.68 | CYP1A2 (0.46) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL7429551 | 0.68 | CYP1A2 (0.46) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL7255156 | 0.65 | USP2 (0.33) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL7429187 | 0.64 | USP2 (0.33) | CACNA2D1LMNACYP1A2SMN1; SMN2USP2 | |
| SCHEMBL5386048 | 0.64 | ALDH1A1 (0.31) | ALDH1A1 |
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-1047678-B1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER LAMBERT CO (US) | 2004-09-08 | — | — | EP | claimed |