Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | SRPK1 | Q96SB4 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 3/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4257450 | 0.84 | ALDH1A1 (0.45) | SMN1; SMN2MAPTALDH1A1HRH4 | |
| SCHEMBL4267522 | 0.78 | TACR1 (0.69) | TACR1TACR3 | |
| SCHEMBL17254231 | 0.74 | HTR3A (0.40) | SMN1; SMN2HRH4 | |
| SCHEMBL4369744 | 0.72 | MAPT (0.41) | MAPTALDH1A1 | |
| SCHEMBL4672167 | 0.72 | GAA (0.51) | SMN1; SMN2MAPTALDH1A1KDM4E | |
| SCHEMBL30976536 | 0.72 | GAA (0.51) | SMN1; SMN2MAPTALDH1A1KDM4E | |
| SCHEMBL1399432 | 0.72 | TACR1 (0.70) | TACR1 | |
| SCHEMBL13686268 | 0.72 | RAB9A (0.46) | TACR1SMN1; SMN2MAPTALDH1A1HRH4 | |
| SCHEMBL17231778 | 0.71 | TACR1 (0.76) | TACR1TACR3 | |
| SCHEMBL17222814 | 0.70 | TACR1 (0.69) | TACR1TACR3 |
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 | TACR1 127/4885SMN1; SMN2 814/4885MAPT 362/4885 |
“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.