Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | RGS12 | O14924 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL480278 | 0.82 | ALDH1A1 (0.73) | ALDH1A1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL13401392 | 0.79 | ALDH1A1 (0.86) | ALDH1A1TDP1HPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL28960488 | 0.78 | KMT2A (0.67) | ALDH1A1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL10660288 | 0.75 | KMT2A (0.63) | ALDH1A1HPGDGAAMEN1KMT2A | |
| SCHEMBL6955085 | 0.74 | CASP1 (0.55) | ALDH1A1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL4094368 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16047533 | 0.71 | ALDH1A1 (0.58) | ALDH1A1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL30070294 | 0.71 | POLB (0.57) | ALDH1A1TDP1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL6207310 | 0.71 | POLB (0.57) | ALDH1A1TDP1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL13442863 | 0.69 | CASP3 (0.69) | ALDH1A1TDP1HPGDSMN1; SMN2TSHR |
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-115572282-B | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-115572282-A | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2023-01-06 | — | — | CN | disclosed |