Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL11130696 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP3A4KMT2APABPC1APOBEC3A | |
| SCHEMBL1202828 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4KMT2APABPC1APOBEC3A | |
| Bromide SCHEMBL10735522 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KMT2APABPC1APOBEC3A | |
| SCHEMBL6378754 | 0.76 | SMN1; SMN2 (0.43) | ALDH1A1KMT2APOLBCTSAMAPK1 | |
| SCHEMBL5187281 | 0.75 | ROCK2 (0.37) | CTSAIDO1ROCK2FFAR1KCNK3 | |
| Hydrazine SCHEMBL18138498 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KMT2APABPC1APOBEC3A | |
| SCHEMBL6947700 | 0.73 | AKR1C3 (0.51) | ALDH1A1CYP3A4HSD17B10MAPK1ROCK2 | |
| SCHEMBL15705106 | 0.72 | CYP3A4 (0.52) | ALDH1A1CYP3A4KMT2APOLBESR1 | |
| SCHEMBL28178916 | 0.72 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4POLBMAPK1CYP19A1 | |
| SCHEMBL29660576 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CYP3A4KMT2APABPC1APOBEC3A |
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-1217001-B1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | EISAI CO LTD (JP) | 2005-12-07 | — | — | EP | disclosed |
| US-6599917-B1 | A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor | EISAI CO., LTD. (JP) | 2003-07-29 | — | — | US | disclosed |
| EP-1217001-A1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |