Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23770737 | 0.96 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNA1KDM4E | |
| SCHEMBL15884424 | 0.94 | MEN1 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA1KDM4E | |
| SCHEMBL15884492 | 0.82 | ADRA2C (0.58) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL30912510 | 0.82 | ADRA2C (0.58) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL2711961 | 0.82 | NOS3 (0.49) | CHRNB2CHRNA4NPC1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL2195037 | 0.81 | NOS3 (0.48) | CHRNB2CHRNA4NPC1ALDH1A1TP53 | |
| SCHEMBL23515037 | 0.78 | GAA (0.45) | CHRNB2CHRNA4KDM4ENPC1ALDH1A1 | |
| SCHEMBL17796769 | 0.78 | SMPD3 (0.43) | CHRNB2CHRNA4KDM4EALDH1A1GAA | |
| SCHEMBL17796820 | 0.78 | SMPD3 (0.43) | CHRNB2CHRNA4KDM4EALDH1A1GAA | |
| SCHEMBL20153303 | 0.75 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7CHRNA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |