Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27535388 | 1.00 | KMT2A (0.63) | KMT2AADRB2POLBATMKCNH2 | |
| SCHEMBL4073722 | 0.85 | CASR (0.62) | KMT2AADRB2MEN1ALDH1A1MAPT | |
| SCHEMBL29551865 | 0.85 | CASR (0.62) | KMT2AADRB2MEN1ALDH1A1MAPT | |
| SCHEMBL607183 | 0.85 | CASR (0.62) | KMT2AADRB2MEN1ALDH1A1MAPT | |
| SCHEMBL8093685 | 0.85 | POLB (0.68) | KMT2AADRB2POLBATMMEN1 | |
| SCHEMBL6093694 | 0.82 | SIGMAR1 (0.65) | ADRB2POLBATMKCNH2ALDH1A1 | |
| SCHEMBL6094958 | 0.82 | SIGMAR1 (0.65) | ADRB2POLBATMKCNH2ALDH1A1 | |
| SCHEMBL1969068 | 0.82 | ATM (0.67) | KMT2APOLBATMKCNH2ALDH1A1 | |
| SCHEMBL8098639 | 0.81 | ADRB2 (0.60) | KMT2AADRB2MEN1HTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL11581729 | 0.81 | ADRB2 (0.57) | KMT2AADRB2POLBATMKCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100528828-C | Production method of racemiation3-hydroxy-3- (2-phenylethyl) hexanoic acid C1-6 alkyl ester | SUMIKA FINE CHEMICALS CO LTD (JP) | 2009-08-19 | — | — | CN | disclosed |
| CN-1982284-A | Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof | SUMIKA FINE CHEMICALS CO LTD (JP) | 2007-06-20 | — | — | CN | disclosed |
| CN-1301244-C | Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 2007-02-21 | — | — | CN | disclosed |
| EP-1577294-A1 | S-SUBSTITUTED N-1- (HETERO)ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHYSIOLOGICALLY ACTIVE S-SUBSTITUTED N-1- (HETERO )ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES,A PHARMACEUTICAL COMPOUND AND CURING METHOD | Institut Fiziologicheski Aktivnykh Veschestv Rossiyskov Akademii Nauk (RU) | 2005-09-21 | — | — | EP | disclosed |
| CN-1617846-A | Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 2005-05-18 | — | — | CN | disclosed |