Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760762 | 0.86 | CYP1A2 (0.52) | CYP1A2HTR2AMAOBAHRTDP1 | |
| SCHEMBL1760765 | 0.86 | CYP1A2 (0.52) | CYP1A2HTR2AMAOBAHRTDP1 | |
| SCHEMBL7116007 | 0.79 | CYP1B1 (0.43) | CYP1A2HTR2AMAOBCYP3A4EGFR | |
| SCHEMBL27314495 | 0.78 | CYP1A2 (0.41) | CYP1A2HTR2AMAOBTRPA1 | |
| SCHEMBL31457128 | 0.78 | NFE2L2 (0.55) | CYP1A2HTR2ATDP1MEN1KMT2A | |
| SCHEMBL31457127 | 0.76 | ALDH1A1 (0.50) | CYP1A2HTR2AMEN1KMT2ACYP3A4 | |
| SCHEMBL31457126 | 0.76 | TYR (0.52) | CYP1A2TDP1KMT2AEGFRTRPA1 | |
| SCHEMBL31457125 | 0.76 | CYP3A4 (0.44) | CYP1A2CYP3A4TRPA1RELA | |
| SCHEMBL28034217 | 0.75 | TRPA1 (0.61) | CYP1A2MAOBMEN1KMT2ACYP3A4 | |
| SCHEMBL28034219 | 0.74 | CYP1A2 (0.41) | CYP1A2HTR2AMAOBAHRTDP1 |
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-105085380-A | NN ligand, NN ligand iron complex, crystals, preparation method and applications thereof | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | disclosed |