Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | AHR | P35869 | 7/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4454427 | 1.00 | CYP2A6 (0.61) | CYP2A6AHRCYP1B1MAOBPDK2 | |
| SCHEMBL9762462 | 0.87 | CYP2A6 (0.70) | CYP2A6MAOBPDK2LMNATSHR | |
| SCHEMBL4456546 | 0.83 | AHR (0.64) | CYP2A6AHRCYP1B1TSHR | |
| SCHEMBL1337137 | 0.81 | CYP2A6 (0.56) | CYP2A6MAOBLMNATSHRBACE1 | |
| SCHEMBL29586653 | 0.80 | CYP2A6 (0.61) | CYP2A6AHRMAOBLMNATSHR | |
| SCHEMBL2233679 | 0.80 | CYP2A6 (0.61) | CYP2A6AHRMAOBLMNATSHR | |
| SCHEMBL1558220 | 0.79 | ALDH1A1 (0.54) | CYP2A6AHRCYP1B1TSHRSMN1; SMN2 | |
| SCHEMBL21620297 | 0.79 | AHR (0.48) | CYP2A6AHRCYP1B1 | |
| SCHEMBL12364954 | 0.79 | FTO (0.49) | AHRCYP1B1PDK2TSHRBACE1 | |
| SCHEMBL3111742 | 0.78 | AHR (0.60) | CYP2A6AHRCYP1B1MAOBPDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111720532-B | Shift lever device for vehicle | 现代自动车株式会社 | 2023-07-04 | — | — | CN | disclosed |