Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 3/20 | 0.31 |
| ▸ | CES1 | P23141 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29544342 | 0.98 | FAAH (0.31) | FAAHLMNACES2CES1MEN1 | |
| SCHEMBL13597406 | 0.86 | THRB (0.38) | FAAHLMNAKMT2ATHRBPOLB | |
| SCHEMBL28101052 | 0.83 | THRB (0.45) | KMT2ATHRBPOLB | |
| SCHEMBL1784672 | 0.82 | LMNA (0.34) | FAAHLMNACES2KMT2AALDH1A1 | |
| SCHEMBL236460 | 0.81 | ALOX15 (0.33) | FAAHCES2CES1MEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10522738 | 0.80 | LMNA (0.33) | LMNACES2ALDH1A1 | |
| Fluoride SCHEMBL9617438 | 0.80 | LMNA (0.33) | LMNACES2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL1580153 | 0.80 | LMNA (0.33) | LMNACES2ALDH1A1 | |
| SCHEMBL13698698 | 0.79 | ALOX15 (0.37) | FAAHCES2CES1MEN1CYP1A2 | |
| SCHEMBL7262141 | 0.79 | CES2 (0.39) | FAAHCES2CES1MEN1CYP1A2 |
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-116148403-A | Micro-extraction method for rapidly extracting short-chain perfluoro and polyfluoroalkyl compound in water sample | 上海交通大学 | 2023-05-23 | — | — | CN | claimed |
| CN-116148403-A | Micro-extraction method for rapidly extracting short-chain perfluoro and polyfluoroalkyl compound in water sample | 上海交通大学 | 2023-05-23 | — | — | CN | disclosed |
| EP-0583540-A1 | Synthesis of desflurane | Anaquest, Inc. (US) | 1994-02-23 | — | — | EP | disclosed |
| EP-0331367-B1 | Liquid crystal compounds having fluoroalkyl radical | SHOWA SHELL SEKIYU (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5205914-A | Synthesis of desflurane | ANAQUEST, INC. (US) | 1993-04-27 | — | — | US | disclosed |
| US-5051527-A | Liquid crystal compounds having fluoroalkyl radical | SHOWA SHELL SEKIYU K.K. (JP) | 1991-09-24 | — | — | US | disclosed |
| EP-0331367-A2 | Liquid crystal compounds having fluoroalkyl radical | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | disclosed |
| US-4357282-A | CONTACTING A FLUORINATED METHYL OR ETHYL EHTER HAVING A METHOXYLATED CARBON ATOM WITH A LEWIS ACID CATALYST ACYLATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-11-02 | — | — | US | disclosed |