Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30976536 | 0.86 | GAA (0.51) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4672167 | 0.86 | GAA (0.51) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4369744 | 0.86 | MAPT (0.41) | ALDH1A1MAPTRAB9AHDAC3HDAC2 | |
| SCHEMBL13686268 | 0.86 | RAB9A (0.46) | ALDH1A1MAPTRAB9AL3MBTL1HDAC3 | |
| SCHEMBL4262849 | 0.84 | TACR1 (0.49) | ALDH1A1MAPTSMN1; SMN2HRH4 | |
| SCHEMBL17254231 | 0.84 | HTR3A (0.40) | RAB9AL3MBTL1HDAC3HTR3ASMN1; SMN2 | |
| SCHEMBL6636701 | 0.79 | TACR1 (0.55) | ALDH1A1MAPTRAB9AL3MBTL1HTR3A | |
| SCHEMBL13686266 | 0.78 | SMO (0.46) | ALDH1A1MAPTRAB9AL3MBTL1HDAC3 | |
| SCHEMBL13686257 | 0.76 | L3MBTL1 (0.39) | ALDH1A1MAPTRAB9AL3MBTL1HDAC3 | |
| SCHEMBL27884859 | 0.76 | TACR1 (0.41) | ALDH1A1MAPTRAB9AL3MBTL1HDAC3 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170008848-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2017-01-12 | — | — | US | disclosed |
| US-20170008848-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2017-01-12 | — | — | US | disclosed |
| US-20160368875-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2016-12-22 | — | — | US | disclosed |
| US-20160368875-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2016-12-22 | — | — | US | disclosed |
| US-20150315149-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2015-11-05 | — | — | US | disclosed |
| US-20150315149-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | MYLAN API US LLC | 2015-11-05 | — | — | US | disclosed |
| EP-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | 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 |
| EP-1863767-A1 | METABOLITES FOR NK-I ANTAGONISTS FOR EMESIS | F. Hoffmann-Roche AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | 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 |
| EP-1035115-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2004-09-29 | — | — | EP | 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-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-6297375-B1 | 4-phenyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | 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-20160368875-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | NMUR1, NNT, NMUR2 | ALDH1A1 1015/4885MAPT 2122/4885RAB9A 3912/4885 |
| 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 | ALDH1A1 373/4885MAPT 362/4885RAB9A 2097/4885 |
| US-20170008848-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | NMUR1, NNT, NMUR2 | ALDH1A1 1015/4885MAPT 2122/4885RAB9A 3912/4885 |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | ALDH1A1 1775/4885MAPT 4733/4885RAB9A 2854/4885 |
| US-20150315149-A1 | METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF | NMUR1, NNT, NMUR2 | ALDH1A1 1015/4885MAPT 2122/4885RAB9A 3912/4885 |
“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.