Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 3/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | PRKCG | P05129 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.48 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.48 |
| ▸ | STK3 | Q13188 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.48 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
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 SCHEMBL6583104 | 0.99 | CHRNA3 (0.54) | CHRNA3CHRNB4CHRNA7DAPK3ROCK2 | |
| SCHEMBL6586493 | 0.93 | CHRNB4 (0.60) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6585211 | 0.92 | CHRNB4 (0.59) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL7825956 | 0.83 | CHRNA3 (0.57) | CHRNA3CHRNB4CHRNA7DAPK3ROCK2 | |
| SCHEMBL7825981 | 0.83 | CHRNA3 (0.57) | CHRNA3CHRNB4CHRNA7DAPK3ROCK2 | |
| SCHEMBL7410468 | 0.81 | CHRNA3 (0.64) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL7413944 | 0.81 | CHRNA3 (0.64) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL8527409 | 0.80 | CHRNA3 (0.54) | CHRNA3CHRNB4CHRNA7DAPK3ROCK2 | |
| Hydrochloric Acid SCHEMBL7827655 | 0.80 | CHRNA3 (0.63) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7827784 | 0.80 | CHRNA3 (0.63) | CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4 |
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-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 |