Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | SMO | Q99835 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29514489 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL1399302 | 0.86 | CNR2 (0.50) | CYP1A2ALDH1A1CYP2C19TACR1KDM4E | |
| SCHEMBL17231783 | 0.84 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL31121832 | 0.81 | CYP1A2 (0.60) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL6637361 | 0.81 | CYP1A2 (0.60) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL6633751 | 0.79 | CYP1A2 (0.57) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL16627286 | 0.77 | HTR3A (0.48) | CYP1A2ALDH1A1CYP2C19HTR3AKDM4E | |
| SCHEMBL10094621 | 0.76 | CYP1A2 (0.57) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL1399329 | 0.76 | TACR1 (0.59) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL17222792 | 0.76 | CYP1A2 (0.54) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | claimed |
| US-7384939-B2 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2008-06-10 | — | — | US | claimed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | claimed |
| EP-1776342-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-25 | — | — | EP | claimed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | claimed |
| US-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2006-01-19 | — | — | US | claimed |
| WO-2006002860-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | claimed |
| WO-2005014549-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2005-02-17 | — | — | WO | claimed |
| US-20050014792-A1 | Process for preparation of pyridine derivatives | ROCHE PALO ALTO LLC | 2005-01-20 | — | — | US | claimed |
| CN-114181142-B | Synthesis method of 6- (4-methylpiperazine-1-yl) -4-o-tolylpropionic nicotinamide | 浙江工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-114181142-A | Synthetic method of 6- (4-methylpiperazine-1-yl) -4-o-tolylnicotinamide | 浙江工业大学 | 2022-03-15 | — | — | CN | disclosed |
| EP-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | disclosed |
| US-7384939-B2 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2008-06-10 | — | — | US | disclosed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| EP-1776342-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2006-01-19 | — | — | US | disclosed |
| WO-2006002860-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |
| WO-2005014549-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |
| US-20050014792-A1 | Process for preparation of pyridine derivatives | ROCHE PALO ALTO LLC | 2005-01-20 | — | — | 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 (2 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-20050014792-A1 | Process for preparation of pyridine derivatives | NOX3, KMO, PBK | CYP1A2 122/4885ALDH1A1 1856/4885CYP3A4 22/4885 |
| US-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | BDKRB1, TACR1, NPSR1 | CYP1A2 719/4885ALDH1A1 1450/4885CYP3A4 368/4885 |
“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.