Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17035667 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1157834 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.82 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9665466 | 0.82 | MAOB (0.47) | MAOBAOC3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11757128 | 0.80 | ALDH1A1 (0.47) | MAOBAOC3CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30366408 | 0.79 | MEN1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28762572 | 0.77 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| 1-Allyloxy-4-Methoxybenzene SCHEMBL2843640 | 0.77 | ALDH1A1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL472078 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| 1-Allyloxy-4-Ethoxybenzene SCHEMBL2846327 | 0.77 | NQO1 (0.64) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4329365-A | DIPHENYL ETHERS | BURROUGHS WELLCOME CO. (US) | 1982-05-11 | — | — | US | disclosed |