Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | MAOB | P27338 | 4/20 | 0.67 |
| ▸ | BCHE | P06276 | 2/20 | 0.67 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.67 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.67 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 3/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Chalcone SCHEMBL28306727 | 1.00 | CYP1B1 (0.67) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Cinnamic Acid SCHEMBL9350678 | 0.86 | HCAR2 (0.63) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Cinnamic Acid SCHEMBL9349337 | 0.86 | HCAR2 (0.63) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL2404758 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL29922932 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL27580 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL454583 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL29396001 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL27581 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A | |
| Chalcone SCHEMBL28306720 | 0.82 | CYP1B1 (1.00) | CYP1B1MAPTMAOBBCHETNFRSF1A |
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-109096194-B | Biguanide derivative, pharmaceutical composition, preparation method and application | 湖南师范大学 | 2022-02-08 | — | — | CN | disclosed |