Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 18/20 | 1.00 |
| ▸ | CYP1A1 | P04798 | 16/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 13/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.69 |
| ▸ | GAA | P10253 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | RELA | Q04206 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | RECQL | P46063 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL1891345 | 0.83 | CYP1B1 (0.73) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL1822120 | 0.82 | MEN1 (1.00) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL28720648 | 0.81 | CYP1A1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5 | |
| SCHEMBL28703752 | 0.81 | CYP1B1 (0.80) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL207233 | 0.81 | MEN1 (0.83) | CYP1B1CYP1A1CYP1A2MEN1GAA | |
| SCHEMBL12297264 | 0.80 | MEN1 (0.95) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL29276782 | 0.79 | MEN1 (1.00) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL29654197 | 0.78 | CYP1B1 (0.74) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL28712406 | 0.78 | CYP1B1 (0.74) | CYP1B1CYP1A1CYP1A2MEN1ALOX5 | |
| SCHEMBL8823082 | 0.77 | MEN1 (0.77) | CYP1B1CYP1A1CYP1A2MEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |