Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517135 | 0.81 | CYP2D6 (0.43) | ACACBALDH1A1SMN1; SMN2TP53KDM4E | |
| SCHEMBL8517840 | 0.81 | ACACB (0.41) | ACACBALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL8518327 | 0.81 | ACACB (0.40) | ACACBALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL8517876 | 0.79 | RAB9A (0.35) | ACACBALDH1A1SMN1; SMN2TP53KDM4E | |
| SCHEMBL8517798 | 0.76 | ALDH1A1 (0.39) | ACACBALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL8602995 | 0.76 | ACACB (0.35) | ACACB | |
| SCHEMBL10338046 | 0.68 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL8048803 | 0.68 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL8048806 | 0.68 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL8036754 | 0.68 | — | — |
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-0628530-B1 | ACETYLENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL CO (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5534188-A | Acetylene derivatives, process for producing the same, liquid crystal composition containing the same as an active ingredient, and liquid crystal element using said liquid crystal composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-07-09 | — | — | US | disclosed |
| EP-0628530-A1 | ACETYLENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-12-14 | — | — | EP | disclosed |