Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567364 | 0.78 | ALDH1A1 (0.37) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL3336186 | 0.78 | ALDH1A1 (0.37) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL7307564 | 0.77 | SLC7A5 (0.42) | DPP4 | |
| SCHEMBL7646569 | 0.75 | CYP2C19 (0.38) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL27382096 | 0.72 | MME (0.31) | MME | |
| Cyclohexane SCHEMBL9122052 | 0.71 | TSHR (0.36) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL811779 | 0.71 | TSHR (0.36) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL28061196 | 0.69 | CYP2C19 (0.39) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL579748 | 0.69 | CYP2C19 (0.39) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Aspartic Acid SCHEMBL6706587 | 0.69 | GRIK1 (0.42) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1069316-C | Substituted 5-ring heterocycles, their preparation and their use | HOECHST AG (DE) | 2001-08-08 | — | — | CN | disclosed |