Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.65 |
| ▸ | JUN | P05412 | 1/20 | 0.65 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | AR | P10275 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739899 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP2C9NFKB1JUNNFE2L2 | |
| SCHEMBL5598564 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2C9MAOBMAPTNPC1 | |
| SCHEMBL31553466 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2C9MAOBMAPTNPC1 | |
| SCHEMBL5598566 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2C9MAOBMAPTNPC1 | |
| SCHEMBL10021653 | 0.85 | NFKB1 (0.69) | CYP1A2CYP2C9NFKB1JUNNFE2L2 | |
| SCHEMBL28740009 | 0.83 | NFKB1 (0.71) | CYP1A2CYP2C9NFKB1JUNNFE2L2 | |
| SCHEMBL28360814 | 0.82 | NFKB1 (0.81) | CYP1A2CYP2C9NFKB1JUNNFE2L2 | |
| SCHEMBL17068275 | 0.82 | NFKB1 (0.81) | CYP1A2CYP2C9NFKB1JUNNFE2L2 | |
| SCHEMBL1160537 | 0.80 | NFKB1 (1.00) | NFKB1JUNNFE2L2ARMAPT | |
| SCHEMBL1160535 | 0.80 | NFKB1 (1.00) | NFKB1JUNNFE2L2ARMAPT |
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-109134399-B | Benzothiazole-containing 1, 4-pentadiene-3-ketone derivative, and preparation method and application thereof | 贵州大学 | 2022-04-26 | — | — | CN | disclosed |