Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | MC5R | P33032 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6643158 | 0.89 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL28743437 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL1740631 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP2A6BDKRB2 | |
| SCHEMBL1338455 | 0.75 | HRH3 (0.35) | HRH3 | |
| SCHEMBL27825995 | 0.71 | AHR (0.55) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31543693 | 0.71 | AHR (0.55) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28033156 | 0.71 | HTR1B (0.53) | CYP2A6ACHE | |
| SCHEMBL13978582 | 0.71 | AHR (0.55) | CYP2A6KMT2A | |
| SCHEMBL4693784 | 0.71 | MEN1 (0.31) | KMT2A | |
| SCHEMBL1337579 | 0.71 | MEN1 (0.40) | CYP1A2KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900772-B1 | Method for production of fluorine-containing aromatic compound | NIPPON CATALYTIC CHEM IND (JP) | 2002-04-03 | — | — | EP | disclosed |
| US-6043397-A | REACTING AN AROMATIC COMPOUND HAVING CARBONYL HALIDE, ALDEHYDE OR KETONE GROUPS, AND OPTIONALLY HALOGEN GROUPS WITH A DI(ALKYL/PHENYL)AMINOSULFUR TRIFLUORIDE; REACTION CAN PROCEED IN STANDARD VESSEL AT AMBIENT TEMPERATURE, PRESSURE | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-03-28 | — | — | US | disclosed |
| EP-0900772-A1 | Method for production of fluorine-containing aromatic compound | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |