Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877336 | 0.85 | CYP1A2 (0.55) | ALDH1A1CYP1A2TSHRGAASMN1; SMN2 | |
| SCHEMBL13347474 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP1A2TSHRGAASMN1; SMN2 | |
| SCHEMBL7133361 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TSHRMAPTNPSR1 | |
| SCHEMBL14735892 | 0.82 | CYP1A2 (0.61) | ALDH1A1CYP1A2TSHRMAPTTDP1 | |
| SCHEMBL27815461 | 0.78 | CYP1A2 (0.55) | ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL27889633 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2TSHRGAASMN1; SMN2 | |
| SCHEMBL2431836 | 0.77 | CYP1A2 (0.63) | ALDH1A1CYP1A2TSHRMAPTTDP1 | |
| SCHEMBL2431833 | 0.77 | CYP1A2 (0.63) | ALDH1A1CYP1A2TSHRMAPTTDP1 | |
| SCHEMBL8808242 | 0.77 | CYP1A2 (0.55) | ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL8808237 | 0.77 | CYP1A2 (0.55) | ALDH1A1CYP1A2TSHRGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013026947-A1 | LIGHT-CONTROLLED ACTIVATION AND INTERNALISATION OF SMALL MOLECULES THAT CAN BIND TO DOUBLE-STRANDED DNA | UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) | 2013-02-28 | — | — | WO | disclosed |