Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8453426 | 0.91 | LMNA (0.47) | AOC3TAAR1THRBAPPCALM1 | |
| SCHEMBL8455306 | 0.89 | CASP3 (0.48) | AOC3TAAR1THRBCALM1ALDH1A1 | |
| SCHEMBL7511210 | 0.88 | APP (0.55) | AOC3TAAR1APPMAOBCALM1 | |
| SCHEMBL8453118 | 0.88 | CASP3 (0.47) | THRBCALM1ALDH1A1TP53CYP3A4 | |
| SCHEMBL8456733 | 0.88 | CASP3 (0.47) | THRBCALM1ALDH1A1TP53CYP3A4 | |
| SCHEMBL8453573 | 0.88 | ACACB (0.44) | THRBACACBTSHR | |
| SCHEMBL8449932 | 0.87 | ACACB (0.50) | THRBACACB | |
| SCHEMBL8449825 | 0.87 | APP (0.46) | AOC3APPMAOBACACBALDH1A1 | |
| SCHEMBL8453066 | 0.86 | ACACB (0.53) | THRBACACBALDH1A1 | |
| SCHEMBL8456009 | 0.86 | ACACB (0.47) | THRBACACBALDH1A1CYP3A4SMN1; SMN2 |
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-0672742-B1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORP (JP) | 1999-02-10 | — | — | EP | disclosed |
| US-5554316-A | Hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0672742-A1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1995-09-20 | — | — | EP | disclosed |