Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 7/20 | 0.58 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.58 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762244 | 0.91 | NPC1 (0.57) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL17422865 | 0.91 | NPC1 (0.57) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176354 | 0.90 | NPC1 (0.58) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL17433453 | 0.86 | KMT2A (0.57) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL29176325 | 0.85 | NHERF1 (0.56) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176336 | 0.85 | NPC1 (0.52) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176356 | 0.85 | TP53 (0.56) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176334 | 0.85 | NPC1 (0.52) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL30762254 | 0.85 | TP53 (0.56) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176344 | 0.84 | IDO1 (0.73) | NPC1RAB9ALMNASMN1; SMN2TP53 |
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 |