Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.64 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 SCHEMBL6589200 | 0.99 | AKT1 (0.63) | AKT1CHRNB2CHRNA4KDM4ECYP1A2 | |
| SCHEMBL6584707 | 0.92 | AKT1 (0.66) | AKT1CHRNB2CHRNA4 | |
| SCHEMBL6584712 | 0.92 | AKT1 (0.66) | AKT1CHRNB2CHRNA4 | |
| SCHEMBL6585545 | 0.92 | AKT1 (0.66) | AKT1CHRNB2CHRNA4 | |
| SCHEMBL6589154 | 0.92 | AKT1 (0.66) | AKT1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6585004 | 0.91 | AKT1 (0.65) | AKT1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6585002 | 0.91 | AKT1 (0.65) | AKT1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6583069 | 0.91 | AKT1 (0.65) | AKT1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6583073 | 0.91 | AKT1 (0.65) | AKT1CHRNB2CHRNA4 | |
| SCHEMBL6584818 | 0.80 | AKT1 (0.68) | AKT1CHRNB2CHRNA4KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |