Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1207769 | 0.88 | POLB (0.38) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL25500893 | 0.85 | CHRM2 (0.42) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL11316954 | 0.85 | CHRM2 (0.39) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL12476221 | 0.78 | CHRM2 (0.42) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL177205 | 0.78 | — | — | |
| SCHEMBL12158777 | 0.78 | CHRM2 (0.37) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL14877968 | 0.78 | CYP19A1 (0.40) | ALDH1A1MAPTCHRM2CHRM1MEN1 | |
| SCHEMBL9687419 | 0.77 | TRIM24 (0.42) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL28780475 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28770241 | 0.76 | — | — |
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-0747336-B1 | Alkenyl cyclohexane derivatives and liquid crystal compositions | CHISSO CORP (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5709820-A | MIXTURES | CHISSO CORPORATION (JP) | 1998-01-20 | — | — | US | disclosed |
| EP-0747336-A1 | Alkenyl cyclohexane derivatives and liquid crystal compositions | Chisso Corporation (JP) | 1996-12-11 | — | — | EP | disclosed |