Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550066 | 1.00 | CHRNB2 (0.60) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL8551635 | 0.91 | CHRNB4 (0.67) | CHRNB2CHRNA4 | |
| SCHEMBL31475515 | 0.83 | PARP15 (0.60) | — | |
| SCHEMBL6585795 | 0.81 | CHRNB2 (0.69) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7414932 | 0.79 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7419188 | 0.79 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL18615679 | 0.78 | PARP15 (0.55) | — | |
| SCHEMBL9448508 | 0.78 | SIRT2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL20357298 | 0.77 | PARP15 (0.54) | — | |
| SCHEMBL8552275 | 0.77 | CHRNB2 (0.71) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846114-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-06-10 | — | — | EP | claimed |
| WO-1996040682-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | claimed |
| EP-0846114-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996040682-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |