Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HLCS | P50747 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10082817 | 0.94 | CYP1A2 (0.36) | CYP1A2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL443868 | 0.86 | TLR4 (0.33) | CYP1A2 | |
| SCHEMBL897428 | 0.82 | — | — | |
| SCHEMBL20220652 | 0.81 | CYP1A2 (0.39) | CYP1A2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL19831660 | 0.81 | CYP1A2 (0.39) | CYP1A2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL3296884 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1HLCSL3MBTL1PPARG | |
| SCHEMBL2690263 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1HLCSL3MBTL1PPARG | |
| SCHEMBL2691790 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1HLCSL3MBTL1PPARG | |
| SCHEMBL3477821 | 0.78 | TLR4 (0.35) | ALDH1A1 | |
| SCHEMBL7622428 | 0.77 | MEN1 (0.34) | CYP1A2NOS1NOS2NOS3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012017204-A1 | EFFICIENT AND COST-EFFECTIVE PROCESS FOR THE MANUFACTURE OF AMYL M-CRESOL | AESICA PHARMACEUTICALS LIMITED (GB) | 2012-02-09 | — | — | WO | claimed |
| WO-2012017204-A1 | EFFICIENT AND COST-EFFECTIVE PROCESS FOR THE MANUFACTURE OF AMYL M-CRESOL | AESICA PHARMACEUTICALS LIMITED (GB) | 2012-02-09 | — | — | WO | disclosed |
| WO-2012017204-A1 | EFFICIENT AND COST-EFFECTIVE PROCESS FOR THE MANUFACTURE OF AMYL M-CRESOL | AESICA PHARMACEUTICALS LIMITED (GB) | 2012-02-09 | — | — | WO | disclosed |