Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 4/20 | 0.50 |
| ▸ | CTSS | P25774 | 4/20 | 0.50 |
| ▸ | CTSL | P07711 | 3/20 | 0.50 |
| ▸ | CTSK | P43235 | 3/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.42 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30288636 | 1.00 | ALPL (0.53) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL26307813 | 1.00 | ALPL (0.53) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL26307067 | 1.00 | ALPL (0.53) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL28978130 | 0.95 | ALPL (0.49) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL28978125 | 0.95 | ALPL (0.49) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL30288602 | 0.95 | ALPL (0.51) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL28978133 | 0.95 | ALPL (0.51) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL28978184 | 0.95 | ALPL (0.51) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL30288671 | 0.95 | ALPL (0.51) | ALPLCTSBCTSSCTSLCTSK | |
| SCHEMBL26307759 | 0.95 | ALPL (0.51) | ALPLCTSBCTSSCTSLCTSK |
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-115894373-A | N-substituted benzylpyrazole derivatives as beta 2 Use of allosteric modulators, antagonists and agonists of the adrenergic receptor | 常州大学 | 2023-04-04 | — | — | CN | disclosed |