Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.53 |
| ▸ | POLQ | O75417 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7112402 | 0.82 | GPBAR1 (0.53) | GPBAR1POLQDHODHGABRPGABRD | |
| SCHEMBL5558301 | 0.82 | GPBAR1 (0.50) | GPBAR1POLQCTSAEIF2AK3KCNQ3 | |
| SCHEMBL14600981 | 0.82 | GPBAR1 (0.50) | GPBAR1POLQKCNQ3KCNQ2KCNE1 | |
| SCHEMBL29186263 | 0.81 | NAPRT (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL5778726 | 0.81 | MAP4K4 (0.46) | DHODHKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL24550893 | 0.79 | CLCN2 (0.48) | FABP4DHODHCLCN2 | |
| SCHEMBL30824174 | 0.79 | CLCN2 (0.48) | FABP4DHODHCLCN2 | |
| SCHEMBL9672293 | 0.78 | KEAP1 (0.52) | FABP4FABP5CLCN2KEAP1KDM4E | |
| SCHEMBL337602 | 0.78 | GPBAR1 (0.47) | GPBAR1POLQDHFRABL1 | |
| SCHEMBL31756885 | 0.78 | GPBAR1 (0.47) | GPBAR1POLQDHFRABL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1293056-C | 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2007-01-03 | — | — | CN | disclosed |
| EP-1309559-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-06-07 | — | — | EP | disclosed |
| CN-1610670-A | 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | CN | disclosed |
| US-6770637-B2 | N-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-6-(4-HYDROXYACETYL-PIPERAZIN-1 -YL)-N-METHYL-4-O-TOLYL-NICOTINAMIDE, FOR EXAMPLE | HOFFMANN-LA ROCHE INC. | 2004-08-03 | — | — | US | disclosed |
| EP-1309559-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | F. HOFFMAN-LA ROCHE AG (CH) | 2002-04-04 | — | — | US | disclosed |
| WO-2002016324-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-28 | — | — | 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-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | NPSR1, NTSR1, NTSR2 | GPBAR1 430/4885POLQ 4831/4885FABP4 4391/4885 |
“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.