Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 4/20 | 0.55 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | TLR4 | O00206 | 4/20 | 0.54 |
| ▸ | TLR2 | O60603 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722178 | 0.86 | FBP1 (0.54) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL497 | 0.86 | FBP1 (0.54) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL496 | 0.86 | FBP1 (0.54) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL34462838 | 0.81 | PRMT1 (0.65) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL10535968 | 0.80 | FBP1 (0.50) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL27979780 | 0.80 | FBP1 (0.50) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL27947395 | 0.80 | RXRA (0.54) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL10535971 | 0.80 | FBP1 (0.50) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL7313258 | 0.79 | RXRA (0.51) | FBP1RXRATLR4TLR2ALDH1A1 | |
| SCHEMBL284706 | 0.77 | GRIN2D (0.48) | ALDH1A1HPGDMAPK1BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117682960-A | Monoclinic crystal form of nitrovinyl biphenyl compound, and preparation method and application thereof | 贵州大学 | 2024-03-12 | — | — | CN | disclosed |
| CN-117682960-A | Monoclinic crystal form of nitrovinyl biphenyl compound, and preparation method and application thereof | 贵州大学 | 2024-03-12 | — | — | CN | disclosed |
| CN-86108089-A | New tetrahydro isoquinoline derivative | — | 1987-09-16 | — | — | CN | disclosed |