Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6940825 | 1.00 | KCNH2 (0.42) | KCNH2ACACBGPR84CYP3A4TSHR | |
| SCHEMBL5099937 | 0.87 | ACACB (0.40) | ACACBMAPT | |
| SCHEMBL24411060 | 0.81 | KDM4E (0.41) | ACACBCYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL16596411 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL16596588 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL16596450 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL16596473 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL16596413 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL18085159 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 | |
| SCHEMBL16596589 | 0.81 | KCNH2 (0.41) | KCNH2GPR84CYP3A4TSHRFFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |