Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.75 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6587117 | 0.99 | CHRNB2 (0.73) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6585127 | 0.99 | CHRNB2 (0.73) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6585516 | 0.90 | CHRNB4 (0.67) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6585419 | 0.89 | CHRNB4 (0.66) | CHRNB2CHRNA4 | |
| SCHEMBL14941047 | 0.86 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6587381 | 0.86 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6584096 | 0.85 | CHRNB2 (0.97) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6585349 | 0.85 | CHRNB2 (0.97) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6583156 | 0.82 | CHRNB2 (0.67) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7931931 | 0.81 | CHRNB2 (0.67) | CHRNB2CHRNA4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934308-B1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2004-08-11 | — | — | EP | claimed |
| US-6127386-A | STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS | ABBOTT LABORATORIES (US) | 2000-10-03 | — | — | US | claimed |
| EP-0934308-B1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6437138-B1 | 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |
| US-6127386-A | STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS | ABBOTT LABORATORIES (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0934308-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | disclosed |