Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.64 |
| ▸ | BCR | P11274 | 4/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.64 |
| ▸ | NQO2 | P16083 | 4/20 | 0.61 |
| ▸ | TTR | P02766 | 2/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.61 |
| ▸ | MYC | P01106 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.58 |
| ▸ | TUBB | P07437 | 2/20 | 0.58 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.58 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.58 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.58 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.58 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.58 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5612788 | 1.00 | ABL1 (0.64) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL29022045 | 0.85 | CYP1A1 (0.52) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL29022042 | 0.85 | CYP1A1 (0.52) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL5492154 | 0.83 | CYP1A1 (0.66) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL5492159 | 0.83 | CYP1A1 (0.66) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL1743363 | 0.79 | CYP1A1 (1.00) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL1743365 | 0.79 | CYP1A1 (1.00) | ABL1BCRABCB1CYP1A1CYP1B1 | |
| SCHEMBL27912686 | 0.79 | NQO2 (0.60) | ABL1BCRCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL27912687 | 0.79 | NQO2 (0.60) | ABL1BCRCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5497383 | 0.79 | NFE2L2 (0.66) | CYP1A1CYP1B1CYP1A2ABCG2TUBB4A |
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-7253324-B1 | Process for the synthesis of biologically active oxygenated compounds by dealkylation of the corresponding alkylethers | SAMI LABS LIMITED (IN) | 2007-08-07 | — | — | US | disclosed |