Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28727379 | 0.97 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| Potassium SCHEMBL29523905 | 0.94 | ALDH1A1 (0.35) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| Hydrazine SCHEMBL28727352 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| Guanidine SCHEMBL28727359 | 0.85 | — | — | |
| Pimagedine SCHEMBL29523914 | 0.80 | BLM (0.32) | TSHR | |
| Pimagedine SCHEMBL28727357 | 0.79 | — | — | |
| SCHEMBL27536733 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| SCHEMBL10950714 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| SCHEMBL10612741 | 0.71 | — | — | |
| SCHEMBL11413203 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1HPGDHIF1A |
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-110128344-B | N-substituted-3, 5-dinitropyrazole compound and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-04-01 | — | — | CN | disclosed |