Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14459791 | 0.79 | ALDH1A1 (0.47) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL21998137 | 0.79 | USP2 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL27448810 | 0.78 | HPGD (0.49) | ALDH1A1LMNASMN1; SMN2PRMT3GAA | |
| Hydrochloric Acid SCHEMBL5402831 | 0.78 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6874620 | 0.76 | MEN1 (0.54) | ALDH1A1LMNACYP1A2PRMT3GAA | |
| SCHEMBL27451626 | 0.75 | USP2 (0.43) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL18221826 | 0.73 | BLM (0.62) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL19059564 | 0.72 | LMNA (0.38) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL17637734 | 0.72 | LMNA (0.60) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Bicarbonate SCHEMBL25218329 | 0.71 | ALDH1A1 (0.71) | ALDH1A1USP2LMNACYP1A2TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1475371-A1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (= GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | Warner-Lambert Company LLC (US) | 2004-11-10 | — | — | EP | disclosed |
| CN-1495160-A | I-substituted-1-aminomethyl-cycloalkane derivative (gabapentin analogs), its preparation and application for curing neuropathy | ��ʲ | 2004-05-12 | — | — | CN | disclosed |
| CN-1131855-C | 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders | WARNER-LAMBERT CO. (US) | 2003-12-24 | — | — | CN | disclosed |
| CN-1279674-A | 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders | WARNER LAMBERT CO (US) | 2001-01-10 | — | — | CN | disclosed |