Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4503607 | 0.88 | GRIN1 (0.46) | ALDH1A1L3MBTL1GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL2994152 | 0.82 | SIGMAR1 (0.56) | ALDH1A1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL2200621 | 0.77 | SIGMAR1 (0.64) | POLBALDH1A1L3MBTL1GAAGRIN2D | |
| SCHEMBL8765712 | 0.77 | GRIN1 (0.59) | ALDH1A1L3MBTL1GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL733824 | 0.77 | SIGMAR1 (0.59) | POLBALDH1A1TSHRL3MBTL1GAA | |
| SCHEMBL3941642 | 0.76 | SIGMAR1 (0.49) | POLBALDH1A1TSHRL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL735216 | 0.75 | OPRM1 (0.50) | POLBALDH1A1TSHRL3MBTL1GAA | |
| SCHEMBL2994796 | 0.74 | ALDH1A1 (0.37) | POLBALDH1A1TSHRL3MBTL1GAA | |
| SCHEMBL5641730 | 0.72 | F10 (0.38) | ALDH1A1OPRM1HSD11B1 | |
| SCHEMBL20818435 | 0.68 | OPRM1 (0.43) | POLBALDH1A1GRIN2DGRIN3BCYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002102372-A1 | GEM-DISUBSTITUTED CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2002-12-27 | — | — | WO | disclosed |