Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267606 | 0.85 | CES2 (0.51) | CES2CES1PTGS2L3MBTL1LMNA | |
| SCHEMBL16411678 | 0.85 | CES2 (0.51) | CES2CES1PTGS2L3MBTL1LMNA | |
| SCHEMBL9303827 | 0.83 | ATM (0.43) | CES2CES1ESR1PTGS2SMN1; SMN2 | |
| SCHEMBL11322005 | 0.81 | HTR7 (0.44) | CES2CES1HPGDGAAHDAC3 | |
| SCHEMBL4389892 | 0.76 | AKT1 (0.34) | HPGDLMNAALDH1A1MAPT | |
| SCHEMBL27686537 | 0.76 | HDAC3 (0.32) | CES2CES1PTGS2HDAC3 | |
| SCHEMBL20521982 | 0.76 | TDP1 (0.53) | SMN1; SMN2L3MBTL1HDAC3HDAC4HDAC1 | |
| SCHEMBL27827293 | 0.76 | HDAC3 (0.32) | CES2CES1PTGS2HDAC3 | |
| SCHEMBL27564615 | 0.75 | HDAC1 (0.37) | CES1SMN1; SMN2HPGDL3MBTL1GAA | |
| SCHEMBL29282715 | 0.73 | CES2 (0.47) | CES2CES1ESR1PTGS2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5349100-A | Chiral metallocene compounds and preparation thereof by creation of a chiral center by enantioselective hydride transfer | EXXON CHEMICAL PATENTS INC. (US) | 1994-09-20 | — | — | US | claimed |
| WO-1992012112-A1 | CHIRAL METALLOCENE COMPOUNDS AND PREPARATION THEREOF BY CREATION OF A CHIRAL CENTER BY ENANTIOSELECTIVE HYDRIDE TRANSFER | EXXON CHEMICAL PATENTS INC. (US) | 1992-07-23 | — | — | WO | claimed |
| US-5349100-A | Chiral metallocene compounds and preparation thereof by creation of a chiral center by enantioselective hydride transfer | EXXON CHEMICAL PATENTS INC. (US) | 1994-09-20 | — | — | US | disclosed |
| WO-1992012112-A1 | CHIRAL METALLOCENE COMPOUNDS AND PREPARATION THEREOF BY CREATION OF A CHIRAL CENTER BY ENANTIOSELECTIVE HYDRIDE TRANSFER | EXXON CHEMICAL PATENTS INC. (US) | 1992-07-23 | — | — | WO | disclosed |