Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444072 | 1.00 | NOS3 (0.45) | NOS3NOS2CES1KDM4EALDH1A1 | |
| SCHEMBL6925588 | 0.76 | HTR6 (0.48) | NOS3NOS2CES1KDM4EALDH1A1 | |
| SCHEMBL30041622 | 0.76 | HTR6 (0.48) | NOS3NOS2CES1KDM4EALDH1A1 | |
| SCHEMBL27972420 | 0.75 | ALDH1A1 (0.44) | NOS3NOS2CES1KDM4EALDH1A1 | |
| SCHEMBL6244296 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA | |
| SCHEMBL2874924 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA | |
| SCHEMBL32689461 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA | |
| SCHEMBL8371987 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA | |
| SCHEMBL31375435 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA | |
| SCHEMBL8053792 | 0.73 | CES1 (0.43) | NOS3NOS2CES1CYP2A6MAOA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110981880-B | Ratio type ATP fluorescent probe and synthetic method and application thereof | 湖南大学 | 2022-03-22 | — | — | CN | disclosed |
| WO-2021060276-A1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUNDS | ＡＧＣ株式会社 | 2021-04-01 | — | — | WO | disclosed |
| CN-110981880-A | Ratio type ATP fluorescent probe and synthetic method and application thereof | 湖南大学 | 2020-04-10 | — | — | CN | disclosed |
| EP-2219629-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | Abbott Laboratories (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009048936-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2009-04-16 | — | — | WO | disclosed |
| EP-1021397-A4 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS INC (US) | 2000-10-04 | — | — | EP | disclosed |
| EP-1021397-A1 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS INC. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998039287-A1 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS, INC. (US) | 1998-09-11 | — | — | WO | disclosed |