Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520686 | 0.95 | CYP2A6 (0.61) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL476842 | 0.95 | CYP2A6 (0.61) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL8476508 | 0.93 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL5464506 | 0.93 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL1310983 | 0.93 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL31228928 | 0.93 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL6036927 | 0.93 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| Formaldehyde SCHEMBL28120061 | 0.89 | CYP1A2 (0.54) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| Formaldehyde SCHEMBL27694859 | 0.89 | CYP1A2 (0.54) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL5668937 | 0.88 | CYP2A6 (0.62) | CYP2A6CYP1A2ALDH1A1MAPTHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522724-B | The method for generating four (fluoro aryl) borates | 阿尔比马尔公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-107522724-A | The method for producing four (fluoro aryl) borates | 阿尔比马尔公司 | 2017-12-29 | — | — | CN | disclosed |
| CN-104995199-B | Method for producing tetrakis (fluoroaryl) borate | 阿尔比马尔公司 | 2017-11-03 | — | — | CN | disclosed |
| CN-104995199-A | Method for producing tetrakis (fluoroaryl) borate | ALBEMARLE CORP | 2015-10-21 | — | — | CN | disclosed |