Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NHERF1 | O14745 | 2/20 | 0.56 |
| ▸ | PYGL | P06737 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29176354 | 0.90 | NPC1 (0.58) | NHERF1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL17433453 | 0.86 | KMT2A (0.57) | NHERF1PYGLNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29176363 | 0.85 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2LMNAEGFR | |
| SCHEMBL30762254 | 0.85 | TP53 (0.56) | NPC1RAB9ASMN1; SMN2LMNAALOX15 | |
| SCHEMBL29176356 | 0.85 | TP53 (0.56) | NPC1RAB9ASMN1; SMN2LMNAALOX15 | |
| SCHEMBL29176336 | 0.85 | NPC1 (0.52) | NHERF1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL29176334 | 0.85 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2LMNAALOX15 | |
| SCHEMBL17422865 | 0.83 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2LMNAEGFR | |
| SCHEMBL30762244 | 0.83 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2LMNAEGFR | |
| SCHEMBL29176360 | 0.81 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2LMNAKMT2A |
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 |