Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303552 | 0.83 | CES2 (0.46) | ATMCES1CES2HDAC6HPGD | |
| SCHEMBL11319329 | 0.79 | HTR7 (0.39) | CES1CES2HPGDALDH1A1RAB9A | |
| SCHEMBL27564615 | 0.78 | HDAC1 (0.37) | CES1TDP1HPGDHDAC1HDAC2 | |
| SCHEMBL16411369 | 0.77 | CES1 (0.41) | CES1CES2HDAC6ALDH1A1HDAC8 | |
| SCHEMBL27827293 | 0.75 | HDAC3 (0.32) | CES1CES2HDAC3PTGS2KMT2A | |
| SCHEMBL27686537 | 0.75 | HDAC3 (0.32) | CES1CES2HDAC3PTGS2KMT2A | |
| SCHEMBL647841 | 0.74 | TDP1 (0.40) | ATMCES1CES2HDAC6TDP1 | |
| SCHEMBL20521982 | 0.71 | TDP1 (0.53) | HDAC6TDP1RAB9AHDAC3HDAC4 | |
| SCHEMBL4389892 | 0.71 | AKT1 (0.34) | HPGDALDH1A1MAPTLMNAMAPK1 | |
| SCHEMBL6890595 | 0.70 | CES2 (0.41) | ATMCES1CES2ALDH1A1ELANE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4264336-A | FOR IMPROVING THE OCTANE QUALITY OF UNLEADED GASOLINE | PHILLIPS PETROLEUM COMPANY (US) | 1981-04-28 | — | — | US | disclosed |