Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.69 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.69 |
| ▸ | AKT1 | P31749 | 3/20 | 0.64 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.61 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.61 |
| ▸ | PRKCG | P05129 | 1/20 | 0.61 |
| ▸ | PIM1 | P11309 | 1/20 | 0.61 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.61 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.61 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.61 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.61 |
| ▸ | STK3 | Q13188 | 1/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.61 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.61 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.61 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.61 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
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 SCHEMBL6585103 | 0.99 | CHRNB2 (0.67) | CHRNB2CHRNA6AKT1DAPK3ROCK2 | |
| SCHEMBL6585642 | 0.91 | AKT1 (0.66) | CHRNB2CHRNA6AKT1DAPK3ROCK2 | |
| Hydrochloric Acid SCHEMBL6585067 | 0.90 | AKT1 (0.65) | CHRNB2CHRNA6AKT1DAPK3ROCK2 | |
| SCHEMBL2185496 | 0.82 | CHRNB2 (0.62) | CHRNB2CHRNA6KDM4ECYP1A2CYP2D6 | |
| SCHEMBL13566551 | 0.82 | CHRNB2 (1.00) | CHRNB2CHRNA6KDM4ECYP1A2CYP2D6 | |
| SCHEMBL13568220 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNA6KDM4ECYP1A2CYP2D6 | |
| SCHEMBL3356181 | 0.81 | CHRNB2 (0.58) | CHRNB2CHRNA6AKT1KDM4ECYP1A2 | |
| SCHEMBL3358858 | 0.81 | CHRNB2 (0.58) | CHRNB2CHRNA6AKT1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL3358185 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA6KDM4ECYP1A2CYP2D6 | |
| SCHEMBL13354150 | 0.81 | CHRNB2 (0.93) | CHRNB2CHRNA6KDM4ECYP1A2CYP2D6 |
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 10 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-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | claimed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | 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 |
| US-5629325-A | TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS | ABBOTT LABORATORIES (US) | 1997-05-13 | — | — | US | disclosed |