Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | GLB1 | P16278 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CTRC | Q99895 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL112852 | 0.94 | — | — | |
| Water SCHEMBL809328 | 0.92 | CYP2A6 (0.47) | CYP2A6ALDH1A1ALOX15MAPK1CYP1A1 | |
| Hydrochloric Acid SCHEMBL3245514 | 0.92 | CYP2A6 (0.47) | CYP2A6ALDH1A1ALOX15MAPK1CYP1A1 | |
| SCHEMBL236958 | 0.84 | CYP2A6 (0.40) | CYP2A6ALDH1A1ALOX15MAPK1 | |
| SCHEMBL27830326 | 0.82 | CYP2A6 (0.38) | CYP2A6ALDH1A1ALOX15MAPK1 | |
| SCHEMBL809429 | 0.80 | CYP2A6 (0.36) | CYP2A6CA1CA2TSHR | |
| SCHEMBL3238117 | 0.80 | CYP2A6 (0.36) | CYP2A6FAAHMGLLCA1CA2 | |
| Hydrochloric Acid SCHEMBL9017439 | 0.79 | RAPGEF4 (0.38) | CYP2A6ALDH1A1ALOX15MAPK1CYP1A1 | |
| SCHEMBL1304591 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11205797 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928091-B | Fluorochemical and its synthetic method | 南开大学 | 2018-12-04 | — | — | CN | disclosed |
| WO-2009039181-A2 | SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE | STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) | 2009-03-26 | — | — | WO | disclosed |