Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4127718 | 0.83 | AKR1C3 (0.43) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL321001 | 0.83 | TSHR (0.43) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL2024272 | 0.83 | AKR1C3 (0.43) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL28595097 | 0.78 | PKM (0.49) | ALDH1A1AKR1C3TSHRAKR1C1HSD17B10 | |
| SCHEMBL11540895 | 0.75 | AKR1C3 (0.50) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL3058444 | 0.75 | FBP1 (0.46) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL11540897 | 0.75 | AKR1C3 (0.50) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL3058440 | 0.75 | FBP1 (0.46) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL8048764 | 0.73 | AKR1C3 (0.48) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 | |
| SCHEMBL9245051 | 0.70 | FBP1 (0.48) | FBP1ALDH1A1AKR1C3TSHRAKR1C1 |
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-105418601-A | Tetrahydrocoptisine derivative and applications thereof | CHENGDU BEISI KAIRUI BIOLOGICAL TECH CO LTD | 2016-03-23 | — | — | CN | disclosed |