Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3528428 | 0.82 | TSHR (0.45) | ALDH1A1GPR119KDM4EGAAMAPT | |
| SCHEMBL15449639 | 0.81 | ALDH1A1 (0.69) | ALDH1A1KCNH2CHRNA7PTGDRMLNR | |
| SCHEMBL1853273 | 0.74 | SYK (0.39) | CHRNA7LRRK2KDM4EGAAMAPT | |
| SCHEMBL4688848 | 0.73 | KMT2A (0.50) | — | |
| SCHEMBL14480256 | 0.72 | ACACB (0.36) | ALDH1A1NNMTKDM4EMAPTACACB | |
| SCHEMBL1688213 | 0.72 | KCNH2 (0.56) | ALDH1A1KCNH2NNMTKDM4EPTGS1 | |
| SCHEMBL3077690 | 0.70 | ALDH1A1 (0.67) | ALDH1A1CHRNA7KDM4EPTGDRMLNR | |
| SCHEMBL4687908 | 0.70 | SMN1; SMN2 (0.43) | ALDH1A1KDM4E | |
| SCHEMBL13589489 | 0.70 | CA12 (0.45) | ALDH1A1KCNH2GPR119MAPTPTGS1 | |
| SCHEMBL2697225 | 0.69 | KMT2A (0.47) | ALDH1A1NNMTLRRK2KDM4EMAP4K4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |