Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | CDC25B | P30305 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | FADS1 | O60427 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6733723 | 0.86 | HSD17B10 (0.65) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL21021078 | 0.82 | HSD17B10 (0.59) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL49213 | 0.82 | HSD17B10 (0.74) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL10708767 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL1921580 | 0.80 | HSD17B10 (0.71) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL8500339 | 0.80 | HSD17B10 (0.71) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| Ammonia Solution, Strong SCHEMBL11586421 | 0.80 | HSD17B10 (0.71) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| SCHEMBL11707749 | 0.79 | TP53 (0.44) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B | |
| Styrene SCHEMBL138405 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| Propene SCHEMBL27671168 | 0.76 | ALDH1A1 (0.79) | ALDH1A1TSHRCYP3A4HSD17B10CDC25B |
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-111116450-B | Axial chiral naphthylamine squaramide organic catalyst, and preparation method and application thereof | 上海交通大学 | 2023-02-21 | — | — | CN | disclosed |
| CN-111116450-A | Axial chiral naphthylamine squaramide organic catalyst, and preparation method and application thereof | 上海交通大学 | 2020-05-08 | — | — | CN | disclosed |