Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 3/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24653520 | 0.84 | HTR3A (0.56) | HTR3AHRH4HRH3 | |
| SCHEMBL30622657 | 0.84 | HTR3A (0.56) | HTR3AHRH4HRH3 | |
| SCHEMBL21761914 | 0.81 | HTR3A (0.53) | HTR3AHRH4HTR3EHTR3BHTR3D | |
| SCHEMBL14938526 | 0.81 | HTR3A (0.53) | HTR3AHRH4HRH3 | |
| SCHEMBL29464176 | 0.81 | HTR3A (0.53) | HTR3AHRH4HRH3 | |
| SCHEMBL29300851 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL17222798 | 0.80 | HTR3A (0.51) | HTR3AHRH4HRH3HTR3EHTR3B | |
| SCHEMBL15992242 | 0.78 | HTR3A (0.49) | HTR3AHRH4HRH3 | |
| SCHEMBL22652074 | 0.78 | HTR3A (0.49) | HTR3AHRH4HRH3 | |
| SCHEMBL21262025 | 0.77 | HTR3A (0.51) | HTR3AHRH4HRH3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101146775-B | Metabolites for nk-i antagonists for emesis | HOFFMANN LA ROCHE | 2012-07-18 | — | — | CN | disclosed |
| EP-1863767-B1 | METABOLITES FOR NK-I ANTAGONISTS FOR EMESIS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |
| EP-1863767-B1 | METABOLITES FOR NK-I ANTAGONISTS FOR EMESIS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |
| CN-101146775-A | Metabolites for nk-i antagonists for emesis | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | CN | disclosed |
| EP-1863767-A1 | METABOLITES FOR NK-I ANTAGONISTS FOR EMESIS | F. Hoffmann-Roche AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-7211579-B2 | NK-1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-05-01 | — | — | US | disclosed |
| US-7211579-B2 | NK-1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-05-01 | — | — | US | disclosed |
| US-7211579-B2 | NK-1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-05-01 | — | — | US | disclosed |
| US-20060217393-A1 | 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-[6-(4-methyl-4-oxy-piperazin-1-yl)-4-o-tolyl-pyridin-3-yl]-isobutyramide (I-1): treating depression, Parkinson's disease, Alzheimer's disease, anxiety, emesis pain | HELSINN HEALTHCARE SA (CH) | 2006-09-28 | — | — | US | disclosed |
| WO-2006099968-A1 | METABOLITES FOR NK-I ANTAGONISTS FOR EMESIS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | 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-20060217393-A1 | 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-[6-(4-methyl-4-oxy-piperazin-1-yl)-4-o-tolyl-pyridin-3-yl]-isobutyramide (I-1): treating depression, Parkinson's disease, Alzheimer's disease, anxiety, emesis pain | OPRK1, OPRL1, OPRM1 | HTR3A 107/4885HRH4 37/4885HRH3 62/4885 |
“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.