Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.51 |
| ▸ | PRKACG | P22612 | 1/20 | 0.51 |
| ▸ | PRKACB | P22694 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL29176347 | 0.91 | CA12 (0.68) | SRCCA12CA1CA2CA9 | |
| SCHEMBL12779572 | 0.87 | ROCK2 (0.70) | MEN1KMT2AROCK2ROCK1PRKACA | |
| SCHEMBL2760118 | 0.83 | SRC (0.62) | SRCCA12CA1CA2CA9 | |
| SCHEMBL20534714 | 0.80 | ALOX15 (0.70) | MEN1KMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL20267074 | 0.77 | ALOX15 (0.53) | HDAC3HDAC1HDAC2KDM4ENPC1 | |
| SCHEMBL29176354 | 0.77 | NPC1 (0.58) | MEN1KMT2AIDO1NPC1RAB9A | |
| SCHEMBL20267061 | 0.75 | HDAC1 (0.57) | HDAC3HDAC1HDAC2KDM4E | |
| SCHEMBL6658034 | 0.75 | SRC (0.81) | SRCCA12CA1CA2CA9 | |
| SCHEMBL20267156 | 0.75 | KDM4E (0.70) | HDAC3HDAC1HDAC2KDM4E | |
| SCHEMBL2735969 | 0.75 | CA12 (0.72) | SRCCA12CA1CA2CA9 |
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 |