Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL110425 | 0.83 | — | — | |
| SCHEMBL25429171 | 0.83 | CYP11B1 (0.34) | GRM5CYP2A6CYP1A2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28213058 | 0.80 | — | — | |
| Pyridine SCHEMBL6864644 | 0.79 | CCR1 (0.52) | TSHRNAPRTTDP1GRM5CYP2A6 | |
| Pyridine SCHEMBL28335243 | 0.77 | CCR1 (0.50) | TSHRNAPRTTDP1GRM5CYP2A6 | |
| Pyridine SCHEMBL10503499 | 0.77 | NOS3 (0.46) | TSHRNAPRTTDP1CYP1A2ALDH1A1 | |
| Dimethylamine SCHEMBL19211916 | 0.75 | GRM5 (0.34) | GRM5ALDH1A1 | |
| SCHEMBL14369526 | 0.74 | CYP2A6 (0.42) | TSHRNAPRTTDP1GRM5CYP2A6 | |
| Pyridine SCHEMBL6938972 | 0.73 | — | — | |
| SCHEMBL27934900 | 0.72 | CYP1A2 (0.37) | GRM5CYP2A6CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520271-B | Method for preparing nitrogen-containing aromatic compound by catalytic pyrolysis of organic material | 中国科学技术大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-104520271-A | Method for preparing nitrogen-containing aromatic compound by catalytic pyrolysis of organic material | USTC UNIV SCIENCE TECH CN | 2015-04-15 | — | — | CN | disclosed |