Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11517162 | 0.92 | ALDH1A1 (0.32) | ALDH1A1TSHRTDP1 | |
| SCHEMBL8975921 | 0.83 | ALDH1A1 (0.31) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11042004 | 0.83 | TDP1 (0.37) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11046564 | 0.79 | TDP1 (0.34) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11566698 | 0.78 | TSHR (0.46) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11040250 | 0.76 | TDP1 (0.35) | ALDH1A1TSHRTDP1 | |
| SCHEMBL29088199 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1SMN1; SMN2 | |
| SCHEMBL1194020 | 0.69 | TSHR (0.45) | ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL18758513 | 0.63 | TSHR (0.36) | ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL7196085 | 0.61 | — | — |
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-116924932-A | Novel energetic eutectic compound and preparation method thereof | 北京理工大学 | 2023-10-24 | — | — | CN | claimed |
| CN-116924932-A | Novel energetic eutectic compound and preparation method thereof | 北京理工大学 | 2023-10-24 | — | — | CN | disclosed |