Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16472382 | 0.85 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL12683426 | 0.85 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL18484867 | 0.79 | — | — | |
| SCHEMBL10005081 | 0.76 | — | — | |
| SCHEMBL16478760 | 0.74 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL12683361 | 0.74 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL18498089 | 0.73 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL16472256 | 0.73 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL16472314 | 0.73 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL14752967 | 0.72 | — | — |
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-2686321-B1 | PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2016-11-16 | — | — | EP | disclosed |