Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL15642578 | 0.90 | NPC1 (0.54) | NPC1RAB9ALMNASMN1; SMN2HPGD | |
| SCHEMBL29176354 | 0.90 | NPC1 (0.58) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176363 | 0.85 | NPC1 (0.71) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176336 | 0.85 | NPC1 (0.52) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL30762254 | 0.85 | TP53 (0.56) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176325 | 0.85 | NHERF1 (0.56) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176356 | 0.85 | TP53 (0.56) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL17422865 | 0.83 | NPC1 (0.57) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL30762244 | 0.83 | NPC1 (0.57) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL20764023 | 0.82 | ESRRG (0.53) | NPC1RAB9ALMNASMN1; SMN2HPGD |
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-2024109642-A1 | USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR | 常州大学 | 2024-05-30 | — | — | WO | disclosed |
| CN-117447381-A | Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments | 常州大学 | 2024-01-26 | — | — | CN | disclosed |