Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413475 | 1.00 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL7826412 | 0.99 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7825495 | 0.90 | CHRNA3 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7827076 | 0.90 | CHRNA3 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7525210 | 0.89 | CHRNA3 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Benzoic Acid SCHEMBL7829041 | 0.86 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Citric Acid SCHEMBL7407586 | 0.85 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Citric Acid SCHEMBL7670396 | 0.85 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7414975 | 0.85 | KDM4E (0.56) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL905228 | 0.85 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846114-B1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2001-12-05 | — | — | EP | claimed |