Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL15121470 | 0.82 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL18108110 | 0.82 | LMNA (0.30) | TSHR | |
| SCHEMBL10348721 | 0.80 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL10348669 | 0.80 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL614308 | 0.76 | TSHR (0.42) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL6435816 | 0.76 | — | — | |
| SCHEMBL613994 | 0.76 | ADRB2 (0.41) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL18108375 | 0.74 | — | — | |
| SCHEMBL430612 | 0.74 | ADRB2 (0.39) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL702931 | 0.74 | ADRB2 (0.39) | ADRB2ADRB1ADRB3CYP3A4TSHR |
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-0154867-B1 | 2-SUBSTITUTED-1,3-BUTADIENE DERIVATIVES AND PROCESS FOR PRODUCING SAME | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-05-02 | — | — | EP | disclosed |
| US-4677216-A | 2-Substituted-1,3-butadiene derivatives and process for producing same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-30 | — | — | US | disclosed |
| EP-0154867-A1 | 2-Substituted-1,3-butadiene derivatives and process for producing same | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1985-09-18 | — | — | EP | disclosed |