Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16825239 | 0.84 | KDM4E (0.43) | KDM4ESMN1; SMN2RAB9AALDH1A1GAA | |
| SCHEMBL5656421 | 0.84 | NPC1 (0.43) | KDM4ESMN1; SMN2RAB9AALDH1A1GAA | |
| SCHEMBL3825653 | 0.82 | ALDH1A1 (0.46) | KDM4ESMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL30323274 | 0.81 | SLC6A2 (0.42) | — | |
| SCHEMBL27792560 | 0.80 | KDM4E (0.40) | KDM4ESMN1; SMN2RAB9AALDH1A1GAA | |
| SCHEMBL23850504 | 0.80 | ALDH1A1 (0.47) | KDM4ERAB9AALDH1A1GAATSHR | |
| Hydrochloric Acid SCHEMBL22031593 | 0.77 | MAP2K2 (0.34) | — | |
| SCHEMBL23850464 | 0.76 | ALDH1A1 (0.44) | KDM4EALDH1A1GAA | |
| SCHEMBL5169785 | 0.74 | HRH3 (0.46) | KDM4ESMN1; SMN2RAB9AALDH1A1GAA | |
| SCHEMBL16825158 | 0.72 | ALDH1A1 (0.46) | KDM4ESMN1; SMN2ALDH1A1 |
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 | KDM4E 573/4885SMN1; SMN2 2651/4885RAB9A 1416/4885 |
“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.