Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21337908 | 0.90 | GABRA1 (0.46) | PDCD1CD274GABRA1GABRB2 | |
| SCHEMBL3975855 | 0.87 | ESR1 (0.44) | PDCD1CD274TSHRTAAR1ACHE | |
| Ammonia Solution, Strong SCHEMBL6672015 | 0.85 | ESR1 (0.43) | PDCD1CD274TSHRTAAR1ACHE | |
| SCHEMBL14546326 | 0.83 | ACHE (0.37) | TAAR1ACHEGAAMAPT | |
| SCHEMBL14142844 | 0.83 | ALDH1A1 (0.46) | TAAR1 | |
| SCHEMBL15206277 | 0.76 | MRGPRX4 (0.48) | CYP3A4TSHRTRPA1HSD17B10CYP1A2 | |
| SCHEMBL1422357 | 0.74 | — | — | |
| SCHEMBL31083860 | 0.74 | — | — | |
| SCHEMBL12806433 | 0.74 | TAAR1 (0.37) | GABRA1GABRB2TSHRTAAR1ACHE | |
| SCHEMBL18203028 | 0.74 | TAAR1 (0.37) | PDCD1CD274TSHRTAAR1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012065568-A1 | AZO HETEROCYCLIC COMPOUND HAVING INSECTICIDAL ACTIVITY, AND PREPARATION AND APPLICATIONS THEREOF | 华东理工大学 (CN) | 2012-05-24 | — | — | WO | disclosed |
| EP-1770085-A1 | DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT | Mitsui Chemicals, Inc. (JP) | 2007-04-04 | — | — | EP | disclosed |