Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15758867 | 0.87 | ALDH1A1 (0.31) | ALDH1A1TSHRTDP1MEN1CYP1A2 | |
| SCHEMBL22806525 | 0.82 | MEN1 (0.31) | ALDH1A1MEN1CYP1A2KMT2AFFAR3 | |
| SCHEMBL11504848 | 0.80 | FFAR3 (0.35) | ALDH1A1TSHRMEN1CYP1A2KMT2A | |
| SCHEMBL5071637 | 0.79 | — | — | |
| SCHEMBL11513698 | 0.76 | MEN1 (0.32) | ALDH1A1TSHRMEN1CYP1A2KMT2A | |
| SCHEMBL13418129 | 0.76 | ALDH1A1 (0.33) | ALDH1A1TSHRMEN1CYP1A2KMT2A | |
| SCHEMBL5975709 | 0.76 | CYP2C19 (0.46) | ALDH1A1TSHRTDP1FFAR3CYP2D6 | |
| SCHEMBL14416263 | 0.75 | TDP1 (0.36) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL11882298 | 0.74 | CYP2C19 (0.44) | ALDH1A1TSHRTDP1FFAR3CYP2D6 | |
| SCHEMBL27447577 | 0.74 | CYP2C19 (0.44) | ALDH1A1TSHRTDP1FFAR3CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106543314-B | The application of catalyst containing ether ester and the catalyst and ether ester in olefin polymerization | 中国石油化工股份有限公司 | 2019-02-19 | — | — | CN | claimed |
| CN-1040105-C | Aminoketone derivatives and use thereof | MITZUI TOATSU CHEMICALS INC (JP) | 1998-10-07 | — | — | CN | disclosed |
| US-5602160-A | MUSCLE RELAXANT | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1997-02-11 | — | — | US | disclosed |
| US-5498619-A | MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0414391-B1 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5338857-A | Muscle relaxant | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1994-08-16 | — | — | US | disclosed |
| CN-1016778-B | spiro-substituted glutaric acid monoamides | PFIZER LTD (GB) | 1992-05-27 | — | — | CN | disclosed |
| CN-1049660-A | Aminoketone derivative and application thereof | MITZUI TOATSU CHEMICALS INC (JP) | 1991-03-06 | — | — | CN | disclosed |
| CN-87107371-A | The glutaramide diuretic agents of spiral shell-replacement | — | 1988-07-06 | — | — | CN | disclosed |