Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | WEE1 | P30291 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 3/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12363106 | 0.85 | CHRNB2 (0.58) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL12363107 | 0.84 | CHRNB2 (0.53) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL24319859 | 0.84 | ADRB1 (0.50) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL31713251 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL16853414 | 0.83 | CHRNB2 (0.47) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL29310098 | 0.82 | CHRNB2 (0.47) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL29310678 | 0.82 | CHRNB2 (0.43) | ADRB1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL16540236 | 0.81 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL82562 | 0.81 | ADRB1 (0.56) | ADRB1MAPTMEN1KMT2AHTR3A | |
| SCHEMBL30047809 | 0.79 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2155201-B1 | QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES | NOVARTIS AG (CH) | 2012-08-01 | — | — | EP | disclosed |