Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12417 | 0.86 | ALDH1A1 (0.52) | CYP2A6CA12CA9ALDH1A1ADRB2 | |
| Ammonia Solution, Strong SCHEMBL28821949 | 0.84 | CYP2A6 (0.52) | CYP2A6CA12CA9ALDH1A1ADRB2 | |
| Hydrogen Sulfide SCHEMBL28032128 | 0.84 | ALDH1A1 (0.50) | CYP2A6CA12CA9ALDH1A1ADRB2 | |
| SCHEMBL422041 | 0.80 | HDAC3 (0.52) | CYP2A6TDP1CYP1A2ALDH1A1MAPT | |
| SCHEMBL144441 | 0.80 | CYP2A6 (0.57) | CYP2A6TDP1CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL28081333 | 0.79 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2CA9ALDH1A1 | |
| SCHEMBL36453 | 0.79 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2CA9ALDH1A1 | |
| SCHEMBL29372904 | 0.79 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2CA9ALDH1A1 | |
| SCHEMBL14985718 | 0.78 | CYP2A6 (0.48) | CYP2A6TDP1CYP1A2CA12ALDH1A1 | |
| SCHEMBL13477886 | 0.77 | APP (0.56) | CYP2A6TDP1CYP1A2CA9ALDH1A1 |
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-2005040308-A2 | METHOD AND APPARATUS FOR CONVERTING AND REMOVING ORGANOSULFUR AND OTHER OXIDIZABLE COMPOUNDS FROM DISTILLATE FUELS, AND COMPOSITIONS OBTAINED THEREBY | DEGUSSA CORPORATION (US) | 2005-05-06 | — | — | WO | disclosed |