Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 9/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.43 |
| ▸ | NMT1 | P30419 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23099080 | 0.89 | CHRM4 (0.43) | TBK1IKBKE | |
| SCHEMBL22470606 | 0.86 | XDH (0.47) | TBK1IKBKE | |
| SCHEMBL4426792 | 0.85 | XDH (0.46) | TBK1IKBKE | |
| SCHEMBL14453574 | 0.82 | TBK1 (0.47) | MAP3K5TBK1HRH1IKBKENMT1 | |
| SCHEMBL22470817 | 0.82 | TBK1 (0.51) | TBK1IKBKE | |
| SCHEMBL5363977 | 0.82 | NOS2 (0.50) | MAP3K5HTR2CHTR2B | |
| SCHEMBL29847200 | 0.82 | TBK1 (0.51) | TBK1IKBKE | |
| SCHEMBL4120430 | 0.81 | HRH1 (0.57) | HTR1ASLC6A2SLC6A3MAP3K5HRH1 | |
| Hydrochloric Acid SCHEMBL3089474 | 0.80 | HRH1 (0.55) | HTR1ASLC6A2SLC6A3MAP3K5HRH1 | |
| SCHEMBL31071604 | 0.80 | SLC6A2 (0.49) | HTR1ASLC6A2SLC6A3HTR2CHTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079693-B1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |
| US-7795437-B2 | Ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-09-14 | — | — | US | disclosed |
| EP-2079693-A1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008052899-A1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-08 | — | — | WO | disclosed |
| US-20080103174-A1 | ETHER DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-05-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080103174-A1 | ETHER DERIVATIVES | GABRE, BDNF, ADH1A | HTR1A 451/4885SLC6A2 122/4885SLC6A3 31/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.