Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6748257 | 0.86 | ESR1 (0.48) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL3131837 | 0.86 | ESR1 (0.63) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL6746496 | 0.83 | ESR2 (0.69) | ESR1ESR2ALDH1A1CYP3A4CHRM2 | |
| Bisphenol A SCHEMBL9502167 | 0.82 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL312276 | 0.74 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4CHRM2 | |
| SCHEMBL9157735 | 0.74 | ESR1 (0.55) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL7378804 | 0.74 | ALDH1A1 (0.59) | ESR1ESR2ALDH1A1CYP3A4KMT2A | |
| SCHEMBL3125861 | 0.73 | ESR1 (0.67) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL6748253 | 0.73 | ALDH1A1 (0.47) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL7130190 | 0.72 | ESR1 (0.56) | ESR1ESR2ALDH1A1CYP3A4CHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6703518-B1 | DENTISTRY | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE | 2004-03-09 | — | — | US | disclosed |