Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672291 | 0.87 | TACR1 (0.43) | KDM4EALDH1A1TP53 | |
| SCHEMBL905356 | 0.83 | TACR1 (0.44) | ALDH1A1KMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL905364 | 0.81 | TACR1 (0.57) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL905365 | 0.81 | TACR1 (0.49) | PTPN11 | |
| SCHEMBL905379 | 0.80 | CYP1A2 (0.54) | KDM4EALDH1A1MAPT | |
| SCHEMBL905377 | 0.80 | TACR1 (0.45) | PTPN11 | |
| SCHEMBL7137826 | 0.79 | TACR1 (0.47) | ALDH1A1 | |
| SCHEMBL4673546 | 0.79 | SMO (0.42) | — | |
| SCHEMBL905381 | 0.78 | TACR1 (0.75) | — | |
| SCHEMBL4673547 | 0.77 | TACR1 (0.44) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6897226-B2 | NK-1 receptor active amine oxide prodrugs | HOFFMANN-LA ROCHE INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-6806370-B2 | NEUROKININ-1 RECEPTOR ANTAGONISTS ARE FURTHER USEFUL FOR THE TREATMENT OF MOTION SICKNESS AND FOR TREATMENT INDUCED VOMITING | HOFFMANN-LA ROCHE INC. | 2004-10-19 | — | — | US | disclosed |
| US-6747026-B2 | FOR THERAPY OF DISEASE RESPONSIVE TO ANTAGONIST MODULATION OF THE NEUROKININ-1 (NK-1) RECEPTOR IN A PATIENT | HOFFMAN-LA ROCHE INC. | 2004-06-08 | — | — | US | disclosed |
| US-20040048901-A1 | NK-1 receptor active amine oxide prodrugs | HOFFMANN TORSTEN (DE) | 2004-03-11 | — | — | US | disclosed |
| EP-1394150-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-03 | — | — | EP | disclosed |
| US-20040014793-A1 | NK-1 receptor active amine oxide prodrugs | HOFFMANN TORSTEN (DE) | 2004-01-22 | — | — | US | disclosed |
| US-20030149039-A1 | For therapy of disease responsive to antagonist modulation of the Neurokinin-1 (NK-1) receptor in a patient | HOFFMANN TORSTEN (DE) | 2003-08-07 | — | — | US | disclosed |
| US-6593472-B2 | Antiinflammatory, -arthritic and -emetic agents; central nervous system disorders; Parkinson's disease; antidepressants; psychological disorders; anxiolytic agents; antagonists of substance P receptors | HOFFMAN-LA ROCHE INC. | 2003-07-15 | — | — | US | disclosed |
| US-6479483-B2 | 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | BOS MICHAEL (CA) | 2002-07-11 | — | — | US | disclosed |
| US-20020045642-A1 | NK-1 receptor active amine oxide prodrugs | HOFFMANN-LA ROCHE INC. | 2002-04-18 | — | — | 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 (5 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-20040048901-A1 | NK-1 receptor active amine oxide prodrugs | TACR1, BDKRB1, NPSR1 | PTPN11 2385/4885KDM4E 706/4885ALDH1A1 560/4885 |
| US-20040014793-A1 | NK-1 receptor active amine oxide prodrugs | TACR1, BDKRB1, NPSR1 | PTPN11 2385/4885KDM4E 706/4885ALDH1A1 560/4885 |
| US-20030149039-A1 | For therapy of disease responsive to antagonist modulation of the Neurokinin-1 (NK-1) receptor in a patient | BDKRB2, BDKRB1, TACR1 | PTPN11 3677/4885KDM4E 2007/4885ALDH1A1 1339/4885 |
| US-20020045642-A1 | NK-1 receptor active amine oxide prodrugs | TACR1, BDKRB1, NPSR1 | PTPN11 2385/4885KDM4E 706/4885ALDH1A1 560/4885 |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | PTPN11 708/4885KDM4E 3360/4885ALDH1A1 1775/4885 |
“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.