Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.68 |
| ▸ | MAPT | P10636 | 9/20 | 0.68 |
| ▸ | HTT | P42858 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23440880 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MAPTHTTLMNATP53 | |
| SCHEMBL21647792 | 0.90 | ALDH1A1 (0.56) | ALDH1A1MAPTHTTLMNAHPGD | |
| SCHEMBL8177086 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPTHTTLMNATP53 | |
| SCHEMBL8187120 | 0.77 | ALDH1A1 (0.71) | ALDH1A1MAPTHTTLMNATP53 | |
| SCHEMBL23440772 | 0.77 | ALDH1A1 (0.66) | ALDH1A1MAPTHTTLMNAHPGD | |
| SCHEMBL30408335 | 0.77 | ALDH1A1 (0.66) | ALDH1A1MAPTHTTLMNAHPGD | |
| SCHEMBL13723216 | 0.76 | CYP1A2 (0.57) | ALDH1A1HTTLMNAKMT2AMEN1 | |
| SCHEMBL14784536 | 0.72 | TSHR (0.57) | ALDH1A1HTTLMNAHPGDKMT2A | |
| SCHEMBL2978401 | 0.71 | ALDH1A1 (0.71) | ALDH1A1MAPTHTTLMNATP53 | |
| SCHEMBL7131786 | 0.70 | TSHR (0.62) | ALDH1A1HTTLMNAHPGDKMT2A |
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-112513011-B | Benzene derivatives | 小野药品工业株式会社 | 2023-06-16 | — | — | CN | disclosed |