Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28978178 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL28978202 | 0.98 | SMN1; SMN2 (0.52) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL28978201 | 0.98 | SMN1; SMN2 (0.52) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL26307759 | 0.95 | ALPL (0.51) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL28978167 | 0.95 | ALPL (0.51) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL30288671 | 0.95 | ALPL (0.51) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL28978141 | 0.94 | MEN1 (0.46) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL30288605 | 0.94 | MEN1 (0.46) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL28978144 | 0.94 | MEN1 (0.46) | SMN1; SMN2TDP1ALPLMEN1KMT2A | |
| SCHEMBL30288636 | 0.94 | ALPL (0.53) | SMN1; SMN2TDP1ALPLMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023165168-A1 | APPLICATION OF PYRAZOLE DERIVATIVE AS β2 ADRENERGIC RECEPTOR ALLOSTERIC MODULATOR, ANTAGONIST AND AGONIST | 常州大学 | 2023-09-07 | — | — | WO | disclosed |
| 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 |