Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 SCHEMBL7668475 | 0.99 | TSHR (0.35) | TSHRCHRNB2CHRNA4HRH3LTA4H | |
| SCHEMBL7414509 | 0.92 | CHRNB4 (0.33) | TSHRCHRNB2CHRNA4HRH3CHRNB4 | |
| Hydrochloric Acid SCHEMBL7664433 | 0.91 | CHRNB4 (0.33) | TSHRCHRNB2CHRNA4KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL7667687 | 0.85 | CHRNB4 (0.34) | ALDH1A1CHRNB4CHRNA3CHRNA7POLB | |
| Hydrochloric Acid SCHEMBL7414269 | 0.76 | CHRNB2 (0.45) | CHRNB2CHRNA4LTA4HKDM4EALDH1A1 | |
| SCHEMBL27489539 | 0.75 | ALDH1A1 (0.41) | CHRNB2CHRNA4ALDH1A1GAA | |
| SCHEMBL7463943 | 0.74 | CHRNB2 (0.43) | CHRNB2CHRNA4HRH3LTA4HKDM4E | |
| SCHEMBL7414505 | 0.74 | KDM4E (0.37) | KDM4EKMT2ACHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL7416361 | 0.73 | ALDH1A1 (0.40) | CHRNB2CHRNA4ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL7412367 | 0.72 | CD274 (0.32) | CHRNB2CHRNA4HRH3KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | claimed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | claimed |
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |