Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30054056 | 0.94 | TSHR (0.59) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL28720779 | 0.85 | POLB (0.70) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL29596169 | 0.82 | POLB (0.60) | ALDH1A1MAPK1MAPTPOLBLMNA | |
| SCHEMBL28721606 | 0.82 | MAPT (0.46) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL29596954 | 0.80 | POLB (0.60) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL29596042 | 0.79 | POLB (0.62) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL29596525 | 0.79 | POLB (0.62) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL29597017 | 0.76 | POLB (0.58) | ALDH1A1TSHRMAPK1MAPTPOLB | |
| SCHEMBL9587829 | 0.74 | GAA (0.61) | ALDH1A1TSHRLMNASMN1; SMN2PKM | |
| SCHEMBL28722166 | 0.73 | NR1H2 (0.54) | ALDH1A1TSHRMAPK1MAPTPOLB |
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-112961109-B | 1, 4-disulfonylated fully-substituted pyrazole compound and preparation and application thereof | 台州学院 | 2022-05-17 | — | — | CN | disclosed |