Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8450901 | 1.00 | SIGMAR1 (0.43) | SIGMAR1MAPTALDH1A1ADRB2ADRB1 | |
| SCHEMBL8455210 | 0.88 | SIGMAR1 (0.40) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL8455202 | 0.88 | SIGMAR1 (0.40) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL8455212 | 0.88 | SIGMAR1 (0.40) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL8455206 | 0.88 | SIGMAR1 (0.40) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL9553224 | 0.85 | SIGMAR1 (0.41) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL9553228 | 0.85 | SIGMAR1 (0.41) | SIGMAR1MAPTALDH1A1ARSMN1; SMN2 | |
| SCHEMBL8982385 | 0.84 | CYP2C9 (0.42) | SIGMAR1MAPTALDH1A1ADRB2ADRB1 | |
| SCHEMBL11044116 | 0.81 | CYP2C9 (0.40) | SIGMAR1MAPTALDH1A1ADRB2ADRB1 | |
| SCHEMBL11044114 | 0.81 | CYP2C9 (0.40) | SIGMAR1MAPTALDH1A1ADRB2ADRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5976408-A | Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0820983-A1 | ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1998-01-28 | — | — | EP | disclosed |