Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 4/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795935 | 0.83 | ALDH1A1 (0.48) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29221472 | 0.81 | ALDH1A1 (0.46) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5085228 | 0.78 | NR1I2 (0.63) | ALDH1A1NR1I2KDM4ESMN1; SMN2TSHR | |
| SCHEMBL16191490 | 0.77 | ALDH1A1 (0.52) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9279918 | 0.76 | ALDH1A1 (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10409089 | 0.75 | KDM4E (0.56) | ALDH1A1NR1I2KDM4ESMN1; SMN2 | |
| SCHEMBL3791075 | 0.75 | ALDH1A1 (0.55) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL846394 | 0.74 | KMT2A (0.58) | ALDH1A1POLBKMT2AKDM4EGAA | |
| 1,3,5-Trimethoxybenzene SCHEMBL27413401 | 0.73 | ALDH1A1 (0.69) | ALDH1A1POLBKMT2ANQO2CYP1A1 | |
| SCHEMBL16795891 | 0.71 | PDE4A (0.37) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015021079-A1 | PROTECTED FLUORESCENT REAGENT COMPOUNDS | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2015-02-12 | — | — | WO | disclosed |
| WO-2004091488-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | WO | disclosed |