Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL11467150 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRACHETDP1TP53 | |
| Ammonia Solution, Strong SCHEMBL27878149 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETDP1TPMT | |
| Ammonia Solution, Strong SCHEMBL4807364 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETDP1TPMT | |
| M-Xylene SCHEMBL458857 | 0.78 | ACHE (0.71) | ALDH1A1TSHRACHETDP1TP53 | |
| Ethylene SCHEMBL27333006 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETDP1TPMT | |
| SCHEMBL26115 | 0.76 | — | — | |
| SCHEMBL341533 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TSHRACHETDP1TPMT | |
| P-Xylene SCHEMBL28049921 | 0.74 | ACHE (0.61) | ALDH1A1TSHRACHETDP1 | |
| SCHEMBL29162872 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TSHRACHETDP1TPMT | |
| Dimesityl Disulfide SCHEMBL11695386 | 0.74 | RAPGEF4 (0.36) | ALDH1A1TDP1TP53RAPGEF4 |
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-114907835-B | Zero-dimensional organic-inorganic hybrid metal halide single crystal material, preparation method and application thereof | 北京理工大学 | 2023-11-21 | — | — | CN | disclosed |