Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517876 | 0.84 | RAB9A (0.35) | ALDH1A1SMN1; SMN2TP53ACACBMAPT | |
| SCHEMBL8517544 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL8518327 | 0.80 | ACACB (0.40) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL8517707 | 0.79 | CYP2D6 (0.51) | ALDH1A1SMN1; SMN2TP53ACACBMEN1 | |
| SCHEMBL8517733 | 0.76 | ACACB (0.40) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL8517840 | 0.76 | ACACB (0.41) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL9808921 | 0.75 | PTGS2 (0.49) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL8719652 | 0.75 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL584333 | 0.73 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL11548026 | 0.73 | GABRP (0.41) | GABRA1GABRB2GABRB1GABRA5GABRA3 |
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 |