Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL11813576 | 0.81 | IDO1 (0.54) | CHRNB2CHRNA4TSHRCYP1A2CYP3A4 | |
| SCHEMBL283639 | 0.81 | IDO1 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19IDO1 | |
| SCHEMBL4163742 | 0.79 | IDO1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19IDO1 | |
| Hydrochloric Acid SCHEMBL10581269 | 0.79 | IDO1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19IDO1 | |
| Methyl Alcohol SCHEMBL21223343 | 0.75 | MAPK1 (0.59) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trimethylammonium SCHEMBL11564446 | 0.74 | IDO1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10972042 | 0.72 | CHRNB2 (0.54) | CHRNB2CHRNA4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11853188 | 0.70 | SLC6A4 (0.50) | CHRNB2CHRNA4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1539430 | 0.70 | IDO1 (0.39) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28353 | 0.69 | — | — |
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-111312989-B | Electrode for rechargeable lithium battery and rechargeable lithium battery comprising the same | 三星SDI株式会社 | 2023-03-24 | — | — | CN | disclosed |